[3H]A-585539

Ligand id: 3974

Name: [3H]A-585539    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 29.02
Molecular weight 281.18
XLogP 3.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Anderson DJ, Bunnelle W, Surber B, Du J, Surowy C, Tribollet E, Marguerat A, Bertrand D, Gopalakrishnan M. (2008)
[3H]A-585539 [(1S,4S)-2,2-dimethyl-5-(6-phenylpyridazin-3-yl)-5-aza-2-azoniabicyclo[2.2.1]heptane], a novel high-affinity alpha7 neuronal nicotinic receptor agonist: radioligand binding characterization to rat and human brain.
J. Pharmacol. Exp. Ther.324 (1): 179-87. [PMID:17959745]