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°: -23.7kJ/mole −TΔS°: 13.3kJ/mole ΔH°: -37kJ/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°: -21.5kJ/mole −TΔS°: -6.20kJ/mole ΔH°: -15.5kJ/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°: -21.2kJ/mole −TΔS°: 12.1kJ/mole ΔH°: -33.4kJ/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°: -21.2kJ/mole −TΔS°: 9.55kJ/mole ΔH°: -31kJ/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°: -21.2kJ/mole −TΔS°: -1.91kJ/mole ΔH°: -19.3kJ/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°: -20.7kJ/mole −TΔS°: 8.40kJ/mole ΔH°: -29.1kJ/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°: -19.8kJ/mole −TΔS°: 1.61kJ/mole ΔH°: -21.4kJ/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°: -19.5kJ/mole −TΔS°: 0.507kJ/mole ΔH°: -20kJ/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°: -19.3kJ/mole −TΔS°: 0.209kJ/mole ΔH°: -19.5kJ/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°: -19.3kJ/mole −TΔS°: 1.19kJ/mole ΔH°: -20.5kJ/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°: -19.3kJ/mole −TΔS°: 1.13kJ/mole ΔH°: -20.5kJ/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°: -19.3kJ/mole −TΔS°: 3.58kJ/mole ΔH°: -22.9kJ/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°: -19.2kJ/mole −TΔS°: -1.70kJ/mole ΔH°: -17.5kJ/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°: -19.2kJ/mole −TΔS°: 2.86kJ/mole ΔH°: -22.1kJ/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°: -19.0kJ/mole −TΔS°: 1.31kJ/mole ΔH°: -20.3kJ/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°: -18.9kJ/mole −TΔS°: -4.41kJ/mole ΔH°: -14.5kJ/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°: -18.9kJ/mole −TΔS°: 8.26kJ/mole ΔH°: -27.1kJ/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°: -18.7kJ/mole −TΔS°: 12.4kJ/mole ΔH°: -31.1kJ/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°: -18.3kJ/mole −TΔS°: -8.94kJ/mole ΔH°: -9.29kJ/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°: -17.6kJ/mole −TΔS°: 1.25kJ/mole ΔH°: -18.8kJ/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°: -17.6kJ/mole −TΔS°: 15.5kJ/mole ΔH°: -33.1kJ/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°: -17.4kJ/mole −TΔS°: 2.39kJ/mole ΔH°: -19.8kJ/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°: -17.3kJ/mole −TΔS°: 2.18kJ/mole ΔH°: -19.5kJ/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°: -17.3kJ/mole −TΔS°: -1.81kJ/mole ΔH°: -15.5kJ/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°: -17.3kJ/mole −TΔS°: 2.62kJ/mole ΔH°: -19.9kJ/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°: -17.1kJ/mole −TΔS°: 6.59kJ/mole ΔH°: -23.7kJ/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°: -17kJ/mole −TΔS°: 7.71kJ/mole ΔH°: -25kJ/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°: -16.9kJ/mole −TΔS°: 10.4kJ/mole ΔH°: -27.3kJ/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°: -16.9kJ/mole −TΔS°: 0.596kJ/mole ΔH°: -17.4kJ/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°: -16.8kJ/mole −TΔS°: 1.79kJ/mole ΔH°: -18.5kJ/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°: -16.8kJ/mole −TΔS°: -13.7kJ/mole ΔH°: -3.10kJ/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°: -16.7kJ/mole −TΔS°: 0.883kJ/mole ΔH°: -17.6kJ/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°: -16.7kJ/mole −TΔS°: 0.835kJ/mole ΔH°: -17.5kJ/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°: -16.7kJ/mole −TΔS°: 1.79kJ/mole ΔH°: -18.5kJ/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°: -16.7kJ/mole −TΔS°: 0.805kJ/mole ΔH°: -17.5kJ/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°: -16.6kJ/mole −TΔS°: 4.25kJ/mole ΔH°: -20.9kJ/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°: -16.6kJ/mole −TΔS°: 1.13kJ/mole ΔH°: -17.7kJ/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°: -16.6kJ/mole −TΔS°: -2.65kJ/mole ΔH°: -14.0kJ/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°: -16.5kJ/mole −TΔS°: 4.25kJ/mole ΔH°: -20.8kJ/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°: -16.5kJ/mole −TΔS°: 5.37kJ/mole ΔH°: -22kJ/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°: -16.5kJ/mole −TΔS°: 8.27kJ/mole ΔH°: -24.7kJ/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°: -16.4kJ/mole −TΔS°: 5.66kJ/mole ΔH°: -22.1kJ/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°: -16.3kJ/mole −TΔS°: 7.40kJ/mole ΔH°: -23.8kJ/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°: -15.1kJ/mole −TΔS°: -0.417kJ/mole ΔH°: -14.7kJ/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°: -15.1kJ/mole −TΔS°: 2.83kJ/mole ΔH°: -17.9kJ/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°: -15.1kJ/mole −TΔS°: 3.70kJ/mole ΔH°: -18.7kJ/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°: -15.0kJ/mole −TΔS°: 1.79kJ/mole ΔH°: -16.8kJ/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°: -14.8kJ/mole −TΔS°: 2.71kJ/mole ΔH°: -17.5kJ/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°: -14.8kJ/mole −TΔS°: 2.77kJ/mole ΔH°: -17.5kJ/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°: -14.8kJ/mole −TΔS°: -0.834kJ/mole ΔH°: -13.9kJ/mole logk: 484
pH: 6.9 T: 14.50°C 
  • Reorder this table by ΔH°
  • Reorder this table by ΔS°
  • Reorder this table by pH
  • Reorder this table by T
  • Change energy unit to:  kcal/mol