Ligand id: 7498

Name: bufexamac

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 58.56
Molecular weight 223.12
XLogP 2.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bantscheff M, Hopf C, Savitski MM, Dittmann A, Grandi P, Michon AM, Schlegl J, Abraham Y, Becher I, Bergamini G et al.. (2011)
Chemoproteomics profiling of HDAC inhibitors reveals selective targeting of HDAC complexes.
Nat. Biotechnol., 29 (3): 255-65. [PMID:21258344]
2. Trommer H, Pl├Ątzer M, Raith K, Wohlrab W, Podhaisky HP, Neubert RH. (2003)
Examinations of the antioxidative properties of the topically administered drug bufexamac reveal new insights into its mechanism of action.
J. Pharm. Pharmacol., 55 (10): 1379-88. [PMID:14607020]