| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | No |
Popular Name: 4-[4-(dimethylamino)butyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-[4-(dimethylamino)butyl]-5-(3-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.79 | 8.63 | -67.83 | 1 | 5 | 0 | 48 | 277.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | 8.49 | -51.07 | 2 | 5 | 1 | 51 | 278.405 | 6 | ↓ |
