ID: | AMF55 | |
---|---|---|
Name: | Sulfaquinoxaline | |
Description: | ||
Labels: | Ampholyte | |
CAS: | 59-40-5 | |
InChi Code: | InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18) |
LogPeff_pH3: Logarithmic effective membrane permeability of amphoteric compounds at pH 3 [log(cm/s)]
Value | Source or prediction |
---|---|
-6.66 |
experimental value |
-6.53 |
Eq.11: QSAR model for membrane permeability of amphoteric compounds at pH 3 (Validation set) |
LogPeff_pH5: Logarithmic effective membrane permeability of amphoteric compounds at pH 5 [log(cm/s)]
Value | Source or prediction |
---|---|
-6.63 |
experimental value |
-6.63 |
Eq.12: QSAR model for membrane permeability of amphoteric compounds at pH 5 (Validation set) |
LogPeff_pH7.4: Logarithmic effective membrane permeability of amphoteric compounds at pH 7.4 [log(cm/s)]
Value | Source or prediction |
---|---|
-6.95 |
experimental value |
-6.69 |
Eq.13: QSAR model for membrane permeability of amphoteric compounds at pH 7.4 (Training set) |
LogPeff_pH9: Logarithmic effective membrane permeability of amphoteric compounds at pH 9 [log(cm/s)]
Value | Source or prediction |
---|---|
-7.15 |
experimental value |
-6.7 |
Eq.14: QSAR model for membrane permeability of amphoteric compounds at pH 9 (Training set) |
LogPeff_highest: Highest logarithmic effective membrane permeability for pH range 3 to 9 of amphoteric compounds [log(cm/s)]
Value | Source or prediction |
---|---|
-6.63 |
experimental value |
-6.64 |
Eq.15: QSAR model for highest membrane permeability of amphoteric compounds (Training set) |
Link | Resource description |
---|---|
DTXSID8042424 | US EPA CompTox Dashboard |