brinzolamide

Ligand id: 6797

Name: brinzolamide

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 163.8
Molecular weight 383.06
XLogP -1.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Parr JS, Khalifah RG. (1992)
Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters.
J. Biol. Chem.267 (35): 25044-50. [PMID:1460006]
2. Sethi KK, Vullo D, Verma SM, Tanç M, Carta F, Supuran CT. (2013)
Carbonic anhydrase inhibitors: synthesis and inhibition of the human carbonic anhydrase isoforms I, II, VII, IX and XII with benzene sulfonamides incorporating 4,5,6,7-tetrabromophthalimide moiety.
Bioorg. Med. Chem.21 (19): 5973-82. [PMID:23965175]
3. Vullo D, Innocenti A, Nishimori I, Pastorek J, Scozzafava A, Pastoreková S, Supuran CT. (2005)
Carbonic anhydrase inhibitors. Inhibition of the transmembrane isozyme XII with sulfonamides-a new target for the design of antitumor and antiglaucoma drugs?.
Bioorg. Med. Chem. Lett.15 (4): 963-9. [PMID:15686894]