| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2010 | 18 | Yes |
Popular Name: (3S)-3-[4-(5-bromo-2-pyridyl)piperazin-1-yl]butanenitrile (3S)-3-[4-(5-bromo-2-pyridyl)pip…
| 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) | 1.80 | 6.29 | -9.27 | 0 | 4 | 0 | 43 | 309.211 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.80 | 8.21 | -45.87 | 1 | 4 | 1 | 44 | 310.219 | 3 | ↓ |
