Ligand id: 1010

Name: BQ788

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 18
Topological polar surface area 162.58
Molecular weight 641.38
XLogP 4.33
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Russell FD, Davenport AP. (1996)
Characterization of the binding of endothelin ETB selective ligands in humanand rat heart.
Br. J. Pharmacol., 119: 631-636. [PMID:8904635]