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: | 57 | |
|---|---|---|
| Name: | Trimethoprim | |
| Description: | ||
| Labels: | pH9, Base | |
| CAS: | 738-70-5 | |
| InChi Code: | InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) |
Properties
logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i
| Value | Source or prediction |
|---|---|
| -6.8 |
experimental value |
| -6.59 |
Eq4: QSAR model for permeability of drugs and drug-like compounds (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3023712 | US EPA CompTox Dashboard |