| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2006 | 25 | No |
Popular Name: 3-(4-ethylphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-4H-1,2,4-triazole 3-(4-ethylphenyl)-5-[1-(3-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) | 5.23 | 12.17 | -14.67 | 1 | 6 | 0 | 87 | 354.435 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.23 | 12.08 | -45.49 | 0 | 6 | -1 | 86 | 353.427 | 6 | ↓ |
