| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 21 | Yes |
Popular Name: 3-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1-piperidyl]propanenitrile 3-[4-[4-(2-hydroxyethyl)piperazi…
| 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) | -0.82 | 2.9 | -60.6 | 2 | 6 | 1 | 72 | 295.407 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.82 | 0.65 | -14.45 | 1 | 6 | 0 | 71 | 294.399 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.82 | 5.16 | -111 | 3 | 6 | 2 | 73 | 296.415 | 5 | ↓ |
