| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2009 | 18 | Yes |
Popular Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-N-isobutyl-acetamide 2-[4-(2-cyanoethyl)piperazin-1-y…
| 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) | 0.42 | 4.03 | -48.38 | 2 | 5 | 1 | 61 | 253.37 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 1.79 | -14.17 | 1 | 5 | 0 | 59 | 252.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.42 | 4.22 | -51.97 | 2 | 5 | 1 | 61 | 253.37 | 6 | ↓ |
