| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2004 | 16 | No |
Popular Name: 4-butyl-3-(4-pyridyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione 4-butyl-3-(4-pyridyl)-4,5-dihydr…
| 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) | 2.44 | 7.05 | -44.31 | 0 | 4 | -1 | 44 | 233.32 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 7.21 | -11.8 | 1 | 4 | 0 | 47 | 234.328 | 4 | ↓ |
