| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 21 | Yes |
Popular Name: 2-[(5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)-ethanone 2-[(5-butyl-4H-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) | 3.24 | 7.8 | -16.05 | 1 | 5 | 0 | 68 | 305.403 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 7.64 | -43.47 | 0 | 5 | -1 | 66 | 304.395 | 8 | ↓ |
