Ligand id: 5348

Name: epibatidine

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 24.92
Molecular weight 208.08
XLogP 1.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Brown-Proctor C, Snyder SE, Sherman PS, Kilbourn MR. (2000)
Synthesis and in vivo evaluation of (E)-N-[(11)C]Methyl-4- (3-pyridinyl)-3-butene-1-amine ([(11)C]metanicotine) as a nicotinic receptor radioligand.
Nucl. Med. Biol., 27 (4): 415-8. [PMID:10938478]