| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 20 | Yes |
Popular Name: (2S)-2-[4-(m-tolylsulfonyl)piperazin-1-yl]propanenitrile (2S)-2-[4-(m-tolylsulfonyl)piper…
| 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) | 1.68 | 3.57 | -12.86 | 0 | 5 | 0 | 64 | 293.392 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 5.76 | -53.03 | 1 | 5 | 1 | 66 | 294.4 | 3 | ↓ |
