| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2009 | 18 | Yes |
Popular Name: 4-[4-(3-amino-2-pyridyl)piperazin-1-yl]butanenitrile 4-[4-(3-amino-2-pyridyl)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) | 0.20 | 6.18 | -49.11 | 3 | 5 | 1 | 70 | 246.338 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 3.98 | -10.52 | 2 | 5 | 0 | 69 | 245.33 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 6.64 | -101.72 | 4 | 5 | 2 | 72 | 247.346 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 4.44 | -33.72 | 3 | 5 | 1 | 70 | 246.338 | 4 | ↓ |
