BDBM9 1-hexanol::1-hexyl alcohol::hexan-1-ol::n-hexanol

SMILES CCCCCCO

InChI Key InChIKey=ZSIAUFGUXNUGDI-UHFFFAOYSA-N

Data  6 ITC

PDB links: 3 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 6 hits for monomerid = 9   

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
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°: -3.94kcal/mole −TΔS°: 1.01kcal/mole ΔH°: -4.97kcal/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...)
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
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°: 0.192kcal/mole ΔH°: -4.18kcal/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...)
National Institute Of Standards And Technology

GuestPNGBDBM9(1-hexanol | 1-hexyl alcohol | hexan-1-ol | n-hexan...)
ITC DataΔG°: -4.02kcal/mole −TΔS°: 0.142kcal/mole ΔH°: -4.16kcal/mole logk: 895
pH: 6.9 T: 25.00°C