| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2006 | 22 | No |
Popular Name: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxy-3-nitro-phenyl)-ethanone 2-[(5-ethyl-1H-1,2,4-triazol-3-y…
| 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) | 2.06 | 7.8 | -28.43 | 1 | 8 | 0 | 114 | 322.346 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.06 | 7.64 | -45.47 | 0 | 8 | -1 | 112 | 321.338 | 7 | ↓ |
