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: | B37 | |
|---|---|---|
| Name: | Midazolam | |
| Description: | ||
| Labels: | Base | |
| CAS: | 59467-70-8 | |
| InChi Code: | InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3 |
Properties
logPeff_pH7.4: Logarithmic effective membrane permeability at pH 7.4 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.57 |
experimental value |
| -4.02 |
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)]
| Value | Source or prediction |
|---|---|
| -4.51 |
experimental value |
| -4.17 |
Eq.12: QSAR model for membrane permeability of basic compounds at pH 9 (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5023320 | US EPA CompTox Dashboard |