BDBM5 cyclohexanol::cyclohexanol-d12

SMILES OC1CCCCC1

InChI Key InChIKey=HPXRVTGHNJAIIH-UHFFFAOYSA-N

Data  30 ITC

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 14 hits for monomerid = 5   

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°: -2.51kcal/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°: -2.44kcal/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°: -2.44kcal/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°: -2.39kcal/mole −TΔS°: 1.25kcal/mole ΔH°: -3.68kcal/mole logk: 50
pH: 6.9 T: 35.10°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: 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°: -3.89kcal/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°: -3.92kcal/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°: -3.87kcal/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

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°: -3.94kcal/mole −TΔS°: -2.03kcal/mole ΔH°: -1.96kcal/mole logk: 687
pH: 6.9 T: 30.00°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