valdecoxib

Ligand id: 2894

Name: valdecoxib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 94.57
Molecular weight 314.07
XLogP 4.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Immunopharmacology Disease
Disease X-Refs Comment References
Rheumatoid arthritis Disease Ontology: DOID:7148
OMIM: 180300
Withdrawn from US market due to safety concerns.