| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 30 | Yes |
Popular Name: 1-(4-benzylpiperazin-1-yl)-2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(4-benzylpiperazin-1-yl)-2-[[5…
| 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) | 3.12 | 8.47 | -12.87 | 1 | 7 | 0 | 74 | 423.542 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 8.33 | -47.03 | 0 | 7 | -1 | 73 | 422.534 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 10.77 | -56.71 | 2 | 7 | 1 | 76 | 424.55 | 7 | ↓ |
