grayanotoxin III

Ligand id: 2628

Name: grayanotoxin III

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 0
Topological polar surface area 121.38
Molecular weight 370.24
XLogP 0.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Compound class Natural product or derivative
Database Links
CAS Registry No. 4678-45-9 (source: Scifinder)
ChEMBL Ligand CHEMBL454313
PubChem CID 11057730
Search Google for chemical match using the InChIKey BWMFRQKICHXLSH-FIRPSQKQSA-N
Search Google for chemicals with the same backbone BWMFRQKICHXLSH