BDBM36174 hexanoate::hexanoic acid::hexanoic acid-d11::hexoate::n-Hexanoate

SMILES CCCCCC([O-])=O

InChI Key InChIKey=FUZZWVXGSFPDMH-UHFFFAOYSA-M

Data  10 ITC

  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 4 hits for monomerid = 36174   

HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science And Technology Agency

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -3.38kcal/mole −TΔS°: 0.0498kcal/mole ΔH°: -3.42kcal/mole logk: 300
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science And Technology Agency

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -3.45kcal/mole −TΔS°: -0.306kcal/mole ΔH°: -3.15kcal/mole logk: 339
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science And Technology Agency

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -3.36kcal/mole −TΔS°: -0.121kcal/mole ΔH°: -3.23kcal/mole logk: 289
pH: 6.9 T: 25.00°C 
HostPNGBDBM4((1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23...)
Japan Science And Technology Agency

GuestPNGBDBM36174(hexanoate | hexanoic acid | hexanoic acid-d11 | he...)
ITC DataΔG°: -3.39kcal/mole −TΔS°: -0.249kcal/mole ΔH°: -3.14kcal/mole logk: 306
pH: 6.9 T: 25.00°C