| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 17 | No |
Popular Name: N-(cyanomethyl)-2-(4-isopropylpiperazin-1-yl)-2-oxo-acetamide N-(cyanomethyl)-2-(4-isopropylpi…
| 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) | -0.88 | 2.75 | -41.41 | 2 | 6 | 1 | 78 | 239.299 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 0.43 | -40.55 | 0 | 6 | -1 | 83 | 237.283 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.88 | 0.38 | -7.81 | 1 | 6 | 0 | 76 | 238.291 | 3 | ↓ |
