| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 19 | No |
Popular Name: 4-[4-(dimethylamino)butyl]-5-(4-pyridyl)-1,2,4-triazole-3-thiol 4-[4-(dimethylamino)butyl]-5-(4-…
| 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) | 1.57 | 8.6 | -64.15 | 1 | 5 | 0 | 48 | 277.397 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 8.51 | -48.55 | 2 | 5 | 1 | 51 | 278.405 | 6 | ↓ |
