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:22
Name:Ofloxacin
Description:
Labels:pH9, Ampholyte
CAS:82419-36-1
InChi Code:InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1

Properties

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

ValueSource or prediction
-7.47

experimental value

-7.03

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

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