Molecule ID: mol13152
SMILES: Sc1ncc2nc[nH]c2n1
InChI: InChI=1S/C5H4N4S/c10-5-6-1-3-4(9-5)8-2-7-3/h1-2H,(H2,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | Datawarrior | 1 » 0 |
| 0.50 | OCHEM | 1 » 0 |
| 0.50 | QSARToolbox | 1 » 0 |
| 0.50 | AttenGpKa training set | 1 » 0 |
| 7.15 | Datawarrior | 0 » -1 |
| 7.15 | AttenGpKa training set | 0 » -1 |
| 7.15 | OCHEM | 0 » -1 |
| 10.40 | Datawarrior | -1 » -2 |
| 10.40 | AttenGpKa training set | -1 » -2 |