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
Approved drug? Yes (source: DrugBank)
DrugBank groups approved
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
RCSB PDB Ligand CM, CBM, ACY
Search on ChemSpider QTBSBXVTEAMEQO-UHFFFAOYSA-N
Wikipedia Acetic_acid
ZINC ZINC05224164
iPHACE Y7AAR5PC

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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