10967/191 - QDB Compounds

QsarDB Repository

Kidron, H.; Vellonen, K.-S.; del Amo, E. M.; Tissari, A.; Urtti, A. Prediction of the Corneal Permeability of Drug-Like Compounds. Pharm. Res. 2010, 27, 1398–1407.

Compound

ID:1
Name:Acetazolamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)

Properties

perm: Corneal permeability [cm/s]

ValueSource or prediction
9.1E-7

experimental value

logPapp: The logarithm of the corneal permeability [log(cm/s)]

ValueSource or prediction
-6.04

experimental value

-5.87

Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set)

-5.94

Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set)

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