| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 20th, 2010 | 20 | No |
Popular Name: (3S)-3-[4-(3-nitrophenyl)piperazin-1-yl]butanenitrile (3S)-3-[4-(3-nitrophenyl)piperaz…
| 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) | 1.65 | 6.9 | -12.79 | 0 | 6 | 0 | 76 | 274.324 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 8.81 | -52.92 | 1 | 6 | 1 | 77 | 275.332 | 4 | ↓ |
