Ligand Id: 2299
Ligand name ethanol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 20.23
Molecular weight 46.04
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
ethanol
Database Links
CAS Registry No. 64-17-5 (source: DrugBank)
ChEBI CHEBI:16236
ChEMBL Ligand 142187, 647190, 285928, 396012, 352507, 352475, 352434, 113618
DrugBank Ligand DB00898
Human Metabolome Database HMDB00108
PharmGKB Drug PA448073, PA451989
PubChem CID 702
RCSB PDB Ligand OHE, EOX, EOH
Search on ChemSpider LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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

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