| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2006 | 16 | No |
Popular Name: 5-(4-methyl-3-nitrophenyl)-4H-1,2,4-triazole-3-thiol 5-(4-methyl-3-nitrophenyl)-4H-1,…
| 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) | 2.56 | 6.71 | -30.34 | 2 | 6 | 0 | 89 | 236.256 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 6.59 | -46.79 | 1 | 6 | -1 | 87 | 235.248 | 2 | ↓ |
