| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 25 | Yes |
Popular Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)-ethanone 2-[(4-allyl-5-phenyl-1,2,4-triaz…
| 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) | 2.38 | 10.81 | -48.31 | 1 | 6 | 1 | 55 | 358.491 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 8.45 | -12.4 | 0 | 6 | 0 | 54 | 357.483 | 6 | ↓ |
