10967/137 - QDB Compounds

QsarDB Repository

Oja, M.; Maran, U. The permeability of artificial membrane for the wide range of pH in human gastrointestinal tract: experimental measurements and quantitative structure-activity relationship. Mol. Inf. 2015, 34, 493–506.

Compound

ID:65
Name:Linezolid
Description:
Labels:pH5, Neutral
CAS:165800-03-3
InChi Code:InChI=1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1

Properties

logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i

ValueSource or prediction
-7.06

experimental value

-6.85

Eq4: QSAR model for permeability of drugs and drug-like compounds (External validation set)

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