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: | 44 | |
|---|---|---|
| Name: | Verapamil | |
| Description: | ||
| Labels: | pH9, Base | |
| CAS: | 52-53-9 | |
| InChi Code: | InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1 |
Properties
logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i
| Value | Source or prediction |
|---|---|
| -3.65 |
experimental value |
| -4.26 |
Eq4: QSAR model for permeability of drugs and drug-like compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9041152 | US EPA CompTox Dashboard |