| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 20 | No |
Popular Name: N-(5-chloro-2-cyano-phenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide N-(5-chloro-2-cyano-phenyl)-2-(3…
| 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) | 1.34 | 3.75 | -55.51 | 3 | 6 | 1 | 86 | 293.734 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 0.67 | -42.79 | 1 | 6 | -1 | 92 | 291.718 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 2.98 | -38.27 | 2 | 6 | 0 | 93 | 292.726 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 1.56 | -16.01 | 2 | 6 | 0 | 85 | 292.726 | 3 | ↓ |
