| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2006 | 23 | No |
Popular Name: 2-[5-[(4-nitrophenyl)methylsulfanyl]-2H-1,2,4-triazol-3-yl]phenol 2-[5-[(4-nitrophenyl)methylsulfa…
| 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) | 3.71 | 7.67 | -12.98 | 2 | 7 | 0 | 108 | 328.353 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 7.48 | -44.67 | 1 | 7 | -1 | 106 | 327.345 | 5 | ↓ |
