Ligand id: 3962

Name: 4BP-TQS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 80.57
Molecular weight 404.02
XLogP 3.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Gill JK, Savolainen M, Young GT, Zwart R, Sher E, Millar NS. (2011)
Agonist activation of alpha7 nicotinic acetylcholine receptors via an allosteric transmembrane site.
Proc. Natl. Acad. Sci. U.S.A., 108 (14): 5867-72. [PMID:21436053]