| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2006 | 22 | No |
Popular Name: 3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole 3-[(4-nitrophenyl)methylsulfanyl…
| 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) | 3.98 | 10.21 | -17.49 | 1 | 6 | 0 | 87 | 312.354 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 10.03 | -42.25 | 0 | 6 | -1 | 86 | 311.346 | 5 | ↓ |
