| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2010 | 20 | Yes |
Popular Name: (3S)-3-[4-(3-pyridylsulfonyl)piperazin-1-yl]butanenitrile (3S)-3-[4-(3-pyridylsulfonyl)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) | -0.14 | 1.97 | -16.01 | 0 | 6 | 0 | 77 | 294.38 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.14 | 3.92 | -53.69 | 1 | 6 | 1 | 79 | 295.388 | 4 | ↓ |
