Compile Data Set for Download or QSAR
maximum 50k data

Found 186 hits with non-zero ITC data for monomer = 4   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36254(2-chloro-4-[(4-hydroxyphenyl)azo]benzoate)
ITC DataΔG°: -5.67kcal/mole −TΔS°: 3.17kcal/mole ΔH°: -8.84kcal/mole logk: 1.38E+4
T: 24.85°C 
Syringe InfoChEBI
PC cidPC sid
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36258(4-[(4-hydroxyphenyl)azo]benzoate)
ITC DataΔG°: -5.14kcal/mole −TΔS°: -1.48kcal/mole ΔH°: -3.70kcal/mole logk: 5.89E+3
T: 24.85°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36257(3-[(4-hydroxyphenyl)azo]benzoate)
ITC DataΔG°: -5.07kcal/mole −TΔS°: 2.89kcal/mole ΔH°: -7.98kcal/mole logk: 5.25E+3
T: 24.85°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM50060533(1,12-Bis(trimethyl ammonium)dodecane dibromide | 1...)
ITC DataΔG°: -5.06kcal/mole −TΔS°: 2.28kcal/mole ΔH°: -7.40kcal/mole logk: 3.82E+3
T: 35.05°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36255(4-chloro-3-[(4-hydroxyphenyl)azo]benzoate)
ITC DataΔG°: -5.06kcal/mole −TΔS°: -0.456kcal/mole ΔH°: -4.61kcal/mole logk: 5.13E+3
T: 24.85°C 
Syringe InfoChEBI
PC cidPC sid
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36258(4-[(4-hydroxyphenyl)azo]benzoate)
ITC DataΔG°: -4.95kcal/mole −TΔS°: 2.01kcal/mole ΔH°: -6.95kcal/mole logk: 4.27E+3
T: 24.85°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36257(3-[(4-hydroxyphenyl)azo]benzoate)
ITC DataΔG°: -4.73kcal/mole −TΔS°: 0.384kcal/mole ΔH°: -5.11kcal/mole logk: 2.95E+3
T: 24.85°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.66kcal/mole −TΔS°: 0.121kcal/mole ΔH°: -4.78kcal/mole logk: 2.61E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.62kcal/mole −TΔS°: 0.0498kcal/mole ΔH°: -4.66kcal/mole logk: 2.44E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.62kcal/mole −TΔS°: 0.285kcal/mole ΔH°: -4.90kcal/mole logk: 2.45E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.62kcal/mole −TΔS°: 0.271kcal/mole ΔH°: -4.89kcal/mole logk: 2.45E+3
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.60kcal/mole −TΔS°: 0.855kcal/mole ΔH°: -5.46kcal/mole logk: 2.38E+3
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.59kcal/mole −TΔS°: -0.405kcal/mole ΔH°: -4.19kcal/mole logk: 3.06E+3
pH: 6.9 T: 14.50°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.59kcal/mole −TΔS°: 0.684kcal/mole ΔH°: -5.27kcal/mole logk: 2.33E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM23432(octanoate | octanoate, 1 | octanoic acid | octanoi...)
ITC DataΔG°: -4.54kcal/mole −TΔS°: 0.313kcal/mole ΔH°: -4.85kcal/mole logk: 2.14E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36254(2-chloro-4-[(4-hydroxyphenyl)azo]benzoate)
ITC DataΔG°: -4.53kcal/mole −TΔS°: -1.05kcal/mole ΔH°: -3.46kcal/mole logk: 2.09E+3
T: 24.85°C 
Syringe InfoChEBI
PC cidPC sid
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.51kcal/mole −TΔS°: 1.97kcal/mole ΔH°: -6.48kcal/mole logk: 1.57E+3
pH: 6.9 T: 35.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36142(1-octylamine | n-Octylamine)
ITC DataΔG°: -4.46kcal/mole −TΔS°: 2.96kcal/mole ΔH°: -7.43kcal/mole logk: 1.16E+3
pH: 6.9 T: 45.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36256(2-[(4-hydroxyphenyl)azo]benzoate)
ITC DataΔG°: -4.36kcal/mole −TΔS°: -2.14kcal/mole ΔH°: -2.22kcal/mole logk: 1.60E+3
T: 24.85°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36260(alkyldimethyl(ferrocenylmethy1)ammonium (2+))
ITC DataΔG°: -4.20kcal/mole −TΔS°: 0.299kcal/mole ΔH°: -4.49kcal/mole logk: 1.20E+3
pH: 5.5 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36261(alkyldimethyl(ferrocenylmethy1)ammonium (3+))
ITC DataΔG°: -4.20kcal/mole −TΔS°: 3.70kcal/mole ΔH°: -7.91kcal/mole logk: 1.20E+3
pH: 2.6 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36202(1-methylheptylamine)
ITC DataΔG°: -4.16kcal/mole −TΔS°: 0.570kcal/mole ΔH°: -4.73kcal/mole logk: 1.13E+3
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36141(1-heptylamine | n-Heptylamine)
ITC DataΔG°: -4.13kcal/mole −TΔS°: 0.520kcal/mole ΔH°: -4.66kcal/mole logk: 1.08E+3
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36141(1-heptylamine | n-Heptylamine)
ITC DataΔG°: -4.13kcal/mole −TΔS°: -0.433kcal/mole ΔH°: -3.71kcal/mole logk: 1.37E+3
pH: 6.9 T: 14.50°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36141(1-heptylamine | n-Heptylamine)
ITC DataΔG°: -4.13kcal/mole −TΔS°: 0.627kcal/mole ΔH°: -4.75kcal/mole logk: 1.07E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36141(1-heptylamine | n-Heptylamine)
ITC DataΔG°: -4.09kcal/mole −TΔS°: 1.58kcal/mole ΔH°: -5.65kcal/mole logk: 790
pH: 6.9 T: 35.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM50060582(1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...)
ITC DataΔG°: -4.06kcal/mole −TΔS°: 1.84kcal/mole ΔH°: -5.97kcal/mole logk: 764
T: 35.05°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36141(1-heptylamine | n-Heptylamine)
ITC DataΔG°: -4.04kcal/mole −TΔS°: 2.48kcal/mole ΔH°: -6.53kcal/mole logk: 592
pH: 6.9 T: 45.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM9(1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexan...)
ITC DataΔG°: -4.02kcal/mole −TΔS°: 0.142kcal/mole ΔH°: -4.16kcal/mole logk: 895
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM9(1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexan...)
ITC DataΔG°: -4.01kcal/mole −TΔS°: 0.427kcal/mole ΔH°: -4.42kcal/mole logk: 871
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36148(1-naphthaleneacetate)
ITC DataΔG°: -4.01kcal/mole −TΔS°: -3.27kcal/mole ΔH°: -0.740kcal/mole logk: 871
pH: 7.2 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM9(1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexan...)
ITC DataΔG°: -3.99kcal/mole −TΔS°: 0.211kcal/mole ΔH°: -4.20kcal/mole logk: 917
pH: 6.9 T: 21.20°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM50240408(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
ITC DataΔG°: -3.99kcal/mole −TΔS°: 0.199kcal/mole ΔH°: -4.19kcal/mole logk: 843
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36016(hexyl-beta-D-glucopyranoside)
ITC DataΔG°: -3.99kcal/mole −TΔS°: 0.427kcal/mole ΔH°: -4.42kcal/mole logk: 832
pH: 6.9 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM9(1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexan...)
ITC DataΔG°: -3.99kcal/mole −TΔS°: 0.192kcal/mole ΔH°: -4.18kcal/mole logk: 840
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM50240408(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
ITC DataΔG°: -3.97kcal/mole −TΔS°: 1.02kcal/mole ΔH°: -5kcal/mole logk: 657
pH: 6.9 T: 35.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM50240408(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
ITC DataΔG°: -3.97kcal/mole −TΔS°: 0.271kcal/mole ΔH°: -4.23kcal/mole logk: 815
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM50240408(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
ITC DataΔG°: -3.97kcal/mole −TΔS°: -0.632kcal/mole ΔH°: -3.34kcal/mole logk: 1.04E+3
pH: 6.9 T: 14.50°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM9(1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexan...)
ITC DataΔG°: -3.94kcal/mole −TΔS°: 1.01kcal/mole ΔH°: -4.97kcal/mole logk: 694
pH: 6.9 T: 30.10°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36163((S)-(+)-2-heptanol)
ITC DataΔG°: -3.94kcal/mole −TΔS°: 1.28kcal/mole ΔH°: -5.25kcal/mole logk: 763
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM50240408(1-hexanecarboxylate | CH3-[CH2]5-COO(-) | enanthat...)
ITC DataΔG°: -3.93kcal/mole −TΔS°: 1.98kcal/mole ΔH°: -5.91kcal/mole logk: 502
pH: 6.9 T: 45.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36164((R)-(-)-2-heptanol)
ITC DataΔG°: -3.92kcal/mole −TΔS°: 1.35kcal/mole ΔH°: -5.28kcal/mole logk: 758
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM9(1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexan...)
ITC DataΔG°: -3.89kcal/mole −TΔS°: 1.77kcal/mole ΔH°: -5.68kcal/mole logk: 583
pH: 6.9 T: 35.20°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36262(alkyldimethyl(ferrocenylmethy1)ammonium (3))
ITC DataΔG°: -3.61kcal/mole −TΔS°: -0.0996kcal/mole ΔH°: -3.51kcal/mole logk: 450
pH: 6.5 T: 24.85°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36187(1-methylhexylamine | Tuaminoheptane)
ITC DataΔG°: -3.60kcal/mole −TΔS°: 0.677kcal/mole ΔH°: -4.28kcal/mole logk: 439
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36197(6-heptenoate)
ITC DataΔG°: -3.59kcal/mole −TΔS°: 0.883kcal/mole ΔH°: -4.48kcal/mole logk: 433
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36140(1-hexylamine | hexylamine | n-Hexylamine)
ITC DataΔG°: -3.58kcal/mole −TΔS°: 0.427kcal/mole ΔH°: -4.01kcal/mole logk: 421
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36140(1-hexylamine | hexylamine | n-Hexylamine)
ITC DataΔG°: -3.53kcal/mole −TΔS°: 0.648kcal/mole ΔH°: -4.18kcal/mole logk: 389
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36140(1-hexylamine | hexylamine | n-Hexylamine)
ITC DataΔG°: -3.53kcal/mole −TΔS°: 0.662kcal/mole ΔH°: -4.19kcal/mole logk: 389
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
University Of Surrey

GuestPNGBDBM36140(1-hexylamine | hexylamine | n-Hexylamine)
ITC DataΔG°: -3.53kcal/mole −TΔS°: -0.199kcal/mole ΔH°: -3.32kcal/mole logk: 484
pH: 6.9 T: 14.50°C 
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