| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | No |
Popular Name: 2-(4-tert-butylpiperazin-1-yl)-N-(cyanomethyl)-2-oxo-acetamide 2-(4-tert-butylpiperazin-1-yl)-N…
| 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) | -0.37 | 2.95 | -40.18 | 2 | 6 | 1 | 78 | 253.326 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.18 | 0.94 | -40.68 | 0 | 6 | -1 | 83 | 251.31 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.37 | 0.88 | -7.7 | 1 | 6 | 0 | 76 | 252.318 | 3 | ↓ |
