Ligand Id: 1058
Ligand name acetic acid

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 60.02
XLogP -0.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
acetic acid
Synonyms
acetate
C2
ethanoic acid
Database Links
BindingDB Ligand 50074329
CAS Registry No. 64-19-7 (source: DrugBank)
ChEBI CHEBI:15366
DrugBank Ligand DB03166
Human Metabolome Database HMDB00042
PharmGKB Drug PA448021
PubChem CID 176
Search Google for chemical match using the InChIKey QTBSBXVTEAMEQO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QTBSBXVTEAMEQO
Wikipedia Acetic_acid
ZINC ZINC05224164

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