Ligand id: 7206

Name: ketotifen

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 48.55
Molecular weight 309.12
XLogP 2.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y. (2011)
Synthesis and structure-activity relationship of tricyclic carboxylic acids as novel anti-histamines.
Bioorg. Med. Chem., 19 (9): 3005-21. [PMID:21470866]