Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for neutral and amphoteric drugs and drug-like compounds. SAR QSAR Environ. Res. 2016, 27, 813-832.
Compound
| ID: | N14 | |
|---|---|---|
| Name: | Pyrazinamide | |
| Description: | ||
| Labels: | Neutral | |
| CAS: | 98-96-4 | |
| InChi Code: | InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) |
Properties
LogPeff_average: Average logarithmic effective membrane permeability for pH range 3 to 9 of neutral compounds [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -6.27 |
experimental value |
| -6.17 |
Eq.9: QSAR model for average membrane permeability of neutral compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9021215 | US EPA CompTox Dashboard |