Ligand id: 6577

Name: CID16020046

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 106.52
Molecular weight 425.14
XLogP 6.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Kargl J, Brown AJ, Andersen L, Dorn G, Schicho R, Waldhoer M, Heinemann A. (2013)
A selective antagonist reveals a potential role of G protein-coupled receptor 55 in platelet and endothelial cell function.
J. Pharmacol. Exp. Ther., 346 (1): 54-66. [PMID:23639801]