10967/166 - QDB Compounds

QsarDB Repository

Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for acidic and basic drugs and drug-like compounds. SAR QSAR Environ. Res. 2015, 26, 701-719.

Compound

ID:B41
Name:Oxprenolol
Description:
Labels:Base
CAS:6452-71-7
InChi Code:InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3/t13-/m1/s1

Properties

logPeff_pH7.4: Logarithmic effective membrane permeability at pH 7.4 [log(cm/s)]

ValueSource or prediction
-5.78

experimental value

-6.17

Eq.11: QSAR model for membrane permeability of basic compounds at pH 7.4 (Training set)

logPeff_pH9: Logarithmic effective membrane permeability at pH 9 [log(cm/s)]

ValueSource or prediction
-5.32

experimental value

-5.51

Eq.12: QSAR model for membrane permeability of basic compounds at pH 9 (Training set)

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