xanthine

Ligand id: 4557

Name: xanthine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 86.88
Molecular weight 152.03
XLogP -0.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
3,7-dihydropurine-2,6-dione
Database Links
CAS Registry No. 69-89-6 (source: Scifinder)
ChEBI CHEBI:15318
ChEMBL Ligand CHEMBL1424
DrugBank Ligand DB02134
PubChem CID 1188
RCSB PDB Ligand XAN
Search Google for chemical match using the InChIKey LRFVTYWOQMYALW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LRFVTYWOQMYALW
Search UniChem for chemical match using the InChIKey LRFVTYWOQMYALW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LRFVTYWOQMYALW
Wikipedia Xanthine