Ligand Id: 2417
Ligand name 2-pentenal

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 17.07
Molecular weight 84.06
XLogP 1.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
(E)-pent-2-enal
Database Links
BindingDB Ligand 50203069
CAS Registry No. 764-39-6 (source: Scifinder)
ChEBI CHEBI:526199
ChEMBL Ligand 526199
PubChem CID 5364752
Search on ChemSpider DTCCTIQRPGSLPT-ONEGZZNKSA-N
ZINC ZINC02031161
iPHACE 851W8LAH

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

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