| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2009 | 38 | Yes |
Popular Name: 1-(4-benzylpiperazin-1-yl)-4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one 1-(4-benzylpiperazin-1-yl)-4-[[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) | 5.85 | 16.89 | -14.76 | 0 | 6 | 0 | 54 | 525.722 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.85 | 19.23 | -52.14 | 1 | 6 | 1 | 55 | 526.73 | 9 | ↓ |
