adenine

Ligand id: 4788

Name: adenine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 80.48
Molecular weight 135.05
XLogP -0.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
7H-purin-6-amine
Database Links
CAS Registry No. 73-24-5 (source: Scifinder)
ChEBI CHEBI:16708
ChEMBL Ligand CHEMBL226345
DrugBank Ligand DB00173
Human Metabolome Database HMDB00034
PubChem CID 190
RCSB PDB Ligand ADE
Search Google for chemical match using the InChIKey GFFGJBXGBJISGV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GFFGJBXGBJISGV
Wikipedia Adenine