| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2011 | 24 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(4-methylpiperazin-1-yl)-2-[[4…
| 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) | 2.18 | 10.19 | -48.85 | 1 | 6 | 1 | 55 | 346.48 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 7.83 | -12.57 | 0 | 6 | 0 | 54 | 345.472 | 4 | ↓ |
