grayanotoxin III

Ligand id: 2628

Name: grayanotoxin III

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
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

1. Kimura T, Yamaoka K, Kinoshita E, Maejima H, Yuki T, Yakehiro M, Seyama I. (2001)
Novel site on sodium channel alpha-subunit responsible for the differential sensitivity of grayanotoxin in skeletal and cardiac muscle.
Mol. Pharmacol., 60 (4): 865-72. [PMID:11562450]