riboflavin

Ligand id: 6578

Name: riboflavin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 5
Topological polar surface area 142.36
Molecular weight 377.15
XLogP -1.19
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
Database Links
CAS Registry No. 83-88-5 (source: Scifinder)
ChEBI CHEBI:17015
ChEMBL Ligand CHEMBL1534
PubChem CID 493570
RCSB PDB Ligand RBF
Search Google for chemical match using the InChIKey AUNGANRZJHBGPY-SCRDCRAPSA-N
Search Google for chemicals with the same backbone AUNGANRZJHBGPY
Search UniChem for chemical match using the InChIKey AUNGANRZJHBGPY-SCRDCRAPSA-N
Search UniChem for chemicals with the same backbone AUNGANRZJHBGPY
Wikipedia Riboflavin