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...)
National Institute Of Standards And Technology

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...)
National Institute Of Standards And Technology

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
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.94kcal/mole −TΔS°: -2.03kcal/mole ΔH°: -1.96kcal/mole logk: 687
pH: 6.9 T: 30.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

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
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.92kcal/mole −TΔS°: -2.35kcal/mole ΔH°: -1.55kcal/mole logk: 732
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.92kcal/mole −TΔS°: -1.62kcal/mole ΔH°: -2.36kcal/mole logk: 608
pH: 6.9 T: 35.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.89kcal/mole −TΔS°: -2.35kcal/mole ΔH°: -1.58kcal/mole logk: 704
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

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
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.89kcal/mole −TΔS°: -2.35kcal/mole ΔH°: -1.58kcal/mole logk: 704
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -2.28kcal/mole ΔH°: -1.60kcal/mole logk: 718
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -2.66kcal/mole ΔH°: -1.17kcal/mole logk: 771
pH: 6.9 T: 20.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -2.28kcal/mole ΔH°: -1.60kcal/mole logk: 688
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM7(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
ITC DataΔG°: -3.75kcal/mole −TΔS°: -0.498kcal/mole ΔH°: -3.27kcal/mole logk: 552
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM6(CHEMBL18850 | cyclohexanone)
ITC DataΔG°: -3.70kcal/mole −TΔS°: -0.926kcal/mole ΔH°: -2.79kcal/mole logk: 510
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM8((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
ITC DataΔG°: -3.32kcal/mole −TΔS°: -0.997kcal/mole ΔH°: -2.34kcal/mole logk: 267
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM8((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
ITC DataΔG°: -2.72kcal/mole −TΔS°: -1.71kcal/mole ΔH°: -1.05kcal/mole logk: 100
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -2.51kcal/mole −TΔS°: 0.211kcal/mole ΔH°: -2.68kcal/mole logk: 72
pH: 6.9 T: 20.70°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -2.48kcal/mole −TΔS°: -0.138kcal/mole ΔH°: -2.39kcal/mole logk: 78
pH: 6.9 T: 14.90°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -2.44kcal/mole −TΔS°: 0.869kcal/mole ΔH°: -3.30kcal/mole logk: 57
pH: 6.9 T: 29.90°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -2.44kcal/mole −TΔS°: 0.640kcal/mole ΔH°: -3.06kcal/mole logk: 62
pH: 6.9 T: 24.80°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -2.41kcal/mole −TΔS°: 0.783kcal/mole ΔH°: -3.18kcal/mole logk: 58
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -2.39kcal/mole −TΔS°: 1.25kcal/mole ΔH°: -3.68kcal/mole logk: 50
pH: 6.9 T: 35.10°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM7(2-methylcyclohexan-1-one | 2-methylcyclohexanone)
ITC DataΔG°: -2.01kcal/mole −TΔS°: 0.142kcal/mole ΔH°: -2.13kcal/mole logk: 30
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM10(CHEMBL12193 | delta-valerolactam | piperidin-2-one)
ITC DataΔG°: -1.91kcal/mole −TΔS°: -0.997kcal/mole ΔH°: -0.884kcal/mole logk: 25
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM6(CHEMBL18850 | cyclohexanone)
ITC DataΔG°: -1.84kcal/mole −TΔS°: 0.855kcal/mole ΔH°: -2.65kcal/mole logk: 22
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM8((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
ITC DataΔG°: -1.67kcal/mole −TΔS°: 0.926kcal/mole ΔH°: -2.63kcal/mole logk: 17
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM8((1R)-cyclohexane-1,2-diol | cis-1,2-cyclohexanedio...)
ITC DataΔG°: -1.65kcal/mole −TΔS°: 0.997kcal/mole ΔH°: -2.63kcal/mole logk: 16
pH: 6.9 T: 25.00°C 
In DepthDetails
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
National Institute Of Standards And Technology

GuestPNGBDBM10(CHEMBL12193 | delta-valerolactam | piperidin-2-one)
ITC DataΔG°: -0.955kcal/mole −TΔS°: 1.92kcal/mole ΔH°: -2.87kcal/mole logk: 5
pH: 6.9 T: 25.00°C 
In DepthDetails
  • Reorder this table by ΔH°
  • Reorder this table by ΔS°
  • Reorder this table by pH
  • Reorder this table by T
  • Change energy unit to:  kJ/mol