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 30 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
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.88kcal/mole −TΔS°: -2.36kcal/mole ΔH°: -1.50kcal/mole logk: 701
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°: -3.85kcal/mole −TΔS°: -3.17kcal/mole ΔH°: -0.680kcal/mole logk: 844
pH: 6.9 T: 14.50°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -2.33kcal/mole ΔH°: -1.55kcal/mole logk: 689
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.91kcal/mole −TΔS°: -1.58kcal/mole ΔH°: -2.34kcal/mole logk: 593
pH: 6.9 T: 35.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.95kcal/mole −TΔS°: -0.859kcal/mole ΔH°: -3.10kcal/mole logk: 515
pH: 6.9 T: 45.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.68kcal/mole −TΔS°: -2.29kcal/mole ΔH°: -1.38kcal/mole logk: 496
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.88kcal/mole −TΔS°: -2.36kcal/mole ΔH°: -1.50kcal/mole logk: 701
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.92kcal/mole −TΔS°: -2.49kcal/mole ΔH°: -1.43kcal/mole logk: 746
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.81kcal/mole −TΔS°: -2.34kcal/mole ΔH°: -1.48kcal/mole logk: 624
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -2.54kcal/mole ΔH°: -1.33kcal/mole logk: 690
pH: 6.9 T: 25.00°C 
HostPNGBDBM11(beta-cyclodextrin | betadex)
National Institute Of Standards And Technology

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.88kcal/mole −TΔS°: -2.44kcal/mole ΔH°: -1.45kcal/mole logk: 707
pH: 7.2 T: 25.00°C 
HostPNGBDBM36267(6-O-phenyl-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -3.98kcal/mole −TΔS°: -2.54kcal/mole ΔH°: -1.45kcal/mole logk: 835
pH: 7.2 T: 25.00°C 
HostPNGBDBM36268(6-O-(4-formylphenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.07kcal/mole −TΔS°: -3.60kcal/mole ΔH°: -0.480kcal/mole logk: 964
pH: 7.2 T: 25.00°C 
HostPNGBDBM36269(6-O-(4-nitrophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.31kcal/mole −TΔS°: -3.49kcal/mole ΔH°: -0.822kcal/mole logk: 1.43E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36270(6-O-(4-bromophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.38kcal/mole −TΔS°: -3.56kcal/mole ΔH°: -0.822kcal/mole logk: 1.63E+3
pH: 7.2 T: 25.00°C 
HostPNGBDBM36271(6-O-(4-chlorophenyl)-beta-cyclodextrin)
Nankai University

GuestPNGBDBM5(cyclohexanol | cyclohexanol-d12)
ITC DataΔG°: -4.22kcal/mole −TΔS°: -2.83kcal/mole ΔH°: -1.39kcal/mole logk: 1.25E+3
pH: 7.2 T: 25.00°C