Ligand id: 3927

Name: BRL-54443

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 39.26
Molecular weight 230.14
XLogP 1.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Brown AM, Avenell K, Young TJ, Ho M, Porter RA, Vimal M, Middlemiss DN. (1998)
BRL 54443, a potent agonist with selectivity for human cloned 5-HT1E and 5-HT1F receptors.
British Journal of Pharmacology, 123 (1): 233.