putrescine

Ligand Id: 2388
Ligand name putrescine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 52.04
Molecular weight 88.1
XLogP -0.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
but-2-ynedinitrile
Database Links
BindingDB Ligand 50009385
CAS Registry No. 110-60-1 (source: DrugBank), 333-93-7 (source: NCI)
ChEBI CHEBI:17148
ChEMBL Ligand 171335
DrugBank Ligand DB01917
Human Metabolome Database HMDB01414
PubChem CID 1045
RCSB PDB Ligand PUT
Search ChemSpider using InChI key KIDHWZJUCRJVML-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KIDHWZJUCRJVML
Wikipedia Putrescine
ZINC ZINC01532552

Please note: some links may refer to related isomers. For more details please contact: enquiries@guidetopharmacology.org