Compile Data Set for Download or QSAR
maximum 50k data

Found 28 hits with all data for this entryid   

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

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...)
Nist

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...)
Nist

GuestPNGBDBM36160((R)-(-)-2-hexanol)
ITC DataΔG°: -3.49kcal/mole −TΔS°: 0.427kcal/mole ΔH°: -3.92kcal/mole logk: 359
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...)
Nist

GuestPNGBDBM36162((S)-(+)-2-hexanol)
ITC DataΔG°: -3.46kcal/mole −TΔS°: 0.570kcal/mole ΔH°: -4.04kcal/mole logk: 347
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...)
Nist

GuestPNGBDBM36160((R)-(-)-2-hexanol)
ITC DataΔG°: -3.46kcal/mole −TΔS°: 0.641kcal/mole ΔH°: -4.11kcal/mole logk: 344
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...)
Nist

GuestPNGBDBM36158((S)-(+)-2-pentanol)
ITC DataΔG°: -2.87kcal/mole −TΔS°: 0.762kcal/mole ΔH°: -3.63kcal/mole logk: 125
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...)
Nist

GuestPNGBDBM36159((R)-(-)-2-pentanol)
ITC DataΔG°: -2.87kcal/mole −TΔS°: 0.812kcal/mole ΔH°: -3.68kcal/mole logk: 126
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36160((R)-(-)-2-hexanol)
ITC DataΔG°: -2.82kcal/mole −TΔS°: -3.28kcal/mole ΔH°: 0.454kcal/mole logk: 118
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36152(L-phenylalanineamide)
ITC DataΔG°: -2.77kcal/mole −TΔS°: 0.0712kcal/mole ΔH°: -2.84kcal/mole logk: 107
pH: 10.02 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36173(1-butanol | 1-butanol-d10 | CHEMBL14245)
ITC DataΔG°: -2.60kcal/mole −TΔS°: 0.214kcal/mole ΔH°: -2.77kcal/mole logk: 79.7
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36159((R)-(-)-2-pentanol)
ITC DataΔG°: -2.08kcal/mole −TΔS°: -2.99kcal/mole ΔH°: 0.884kcal/mole logk: 33
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36158((S)-(+)-2-pentanol)
ITC DataΔG°: -2.05kcal/mole −TΔS°: -3.06kcal/mole ΔH°: 0.979kcal/mole logk: 32
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...)
Nist

GuestPNGBDBM36157((+/-)-2-butanol)
ITC DataΔG°: -1.96kcal/mole −TΔS°: 0.406kcal/mole ΔH°: -2.36kcal/mole logk: 27.8
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...)
Nist

GuestPNGBDBM36156((R)-(-)-2-butanol)
ITC DataΔG°: -1.89kcal/mole −TΔS°: 0.741kcal/mole ΔH°: -2.63kcal/mole logk: 24.5
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...)
Nist

GuestPNGBDBM36155((S)-(+)-2-butanol)
ITC DataΔG°: -1.89kcal/mole −TΔS°: 0.783kcal/mole ΔH°: -2.65kcal/mole logk: 24.1
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36152(L-phenylalanineamide)
ITC DataΔG°: -1.84kcal/mole −TΔS°: 0.313kcal/mole ΔH°: -2.15kcal/mole logk: 22
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36155((S)-(+)-2-butanol)
ITC DataΔG°: -1.77kcal/mole −TΔS°: -2.56kcal/mole ΔH°: 0.764kcal/mole logk: 20
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...)
Nist

GuestPNGBDBM36152(L-phenylalanineamide)
ITC DataΔG°: -1.72kcal/mole −TΔS°: 2.63kcal/mole ΔH°: -4.35kcal/mole logk: 18.6
pH: 10.02 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36173(1-butanol | 1-butanol-d10 | CHEMBL14245)
ITC DataΔG°: -1.65kcal/mole −TΔS°: -2.67kcal/mole ΔH°: 1.03kcal/mole logk: 16
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36156((R)-(-)-2-butanol)
ITC DataΔG°: -1.53kcal/mole −TΔS°: -2.71kcal/mole ΔH°: 1.17kcal/mole logk: 13
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36157((+/-)-2-butanol)
ITC DataΔG°: -1.53kcal/mole −TΔS°: -2.71kcal/mole ΔH°: 1.17kcal/mole logk: 13
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...)
Nist

GuestPNGBDBM36152(L-phenylalanineamide)
ITC DataΔG°: -1.48kcal/mole −TΔS°: 1.92kcal/mole ΔH°: -3.42kcal/mole logk: 12
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM36154(2-propanol | ISOPROPYL ALCOHOL)
ITC DataΔG°: -1.34kcal/mole −TΔS°: -1.07kcal/mole ΔH°: -0.287kcal/mole logk: 9.70
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...)
Nist

GuestPNGBDBM36161(D-phenylalanine)
ITC DataΔG°: -1.24kcal/mole −TΔS°: 2.35kcal/mole ΔH°: -3.58kcal/mole logk: 8
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Nist

GuestPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
ITC DataΔG°: -1.24kcal/mole −TΔS°: 1.64kcal/mole ΔH°: -2.87kcal/mole logk: 8
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36153(1-propanol)
ITC DataΔG°: -0.884kcal/mole −TΔS°: -2.35kcal/mole ΔH°: 1.43kcal/mole logk: 4.5
pH: 6.9 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM18073((2S)-2-amino-3-phenylpropanoic acid | CHEMBL301523...)
ITC DataΔG°: -0.717kcal/mole −TΔS°: 2.14kcal/mole ΔH°: -2.87kcal/mole logk: 3
pH: 5.01 T: 25.00°C 
In DepthDetails Article
HostPNGBDBM11(beta-cyclodextrin | betadex)
Nist

GuestPNGBDBM36154(2-propanol | ISOPROPYL ALCOHOL)
ITC DataΔG°: -0.573kcal/mole −TΔS°: -3.20kcal/mole ΔH°: 2.65kcal/mole logk: 2.60
pH: 6.9 T: 25.00°C 
In DepthDetails Article
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