| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2009 | 24 | No |
Popular Name: 3-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4H-1,2,4-triazole 3-(4-methoxyphenyl)-5-[(4-nitrop…
| 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) | 4.04 | 9.52 | -17.73 | 1 | 7 | 0 | 97 | 342.38 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.04 | 9.34 | -41.09 | 0 | 7 | -1 | 95 | 341.372 | 6 | ↓ |
