| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 18 | No |
Popular Name: 4-(3-dimethylaminopropyl)-5-(4-pyridyl)-2H-1,2,4-triazole-3-thione 4-(3-dimethylaminopropyl)-5-(4-p…
| 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) | 1.30 | 7.69 | -59.83 | 1 | 5 | 0 | 48 | 263.37 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 7.85 | -49.02 | 2 | 5 | 1 | 51 | 264.378 | 5 | ↓ |
