Ligand id: 3958

Name: [11C]doxepin    

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 12.47
Molecular weight 279.16
XLogP 3.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ishiwata K, Kawamura K, Wang WF, Tsukada H, Harada N, Mochizuki H, Kimura Y, Ishii K, Iwata R, Yanai K. (2004)
Evaluation of in vivo selective binding of [11C]doxepin to histamine H1 receptors in five animal species.
Nucl. Med. Biol., 31 (4): 493-502. [PMID:15093820]