| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 17 | Yes |
Popular Name: (2S)-2-(4-methylsulfanylphenyl)-2-piperazin-1-yl-acetonitrile (2S)-2-(4-methylsulfanylphenyl)-…
| 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) | 1.44 | 5.11 | -47.73 | 2 | 3 | 1 | 44 | 248.375 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 3.74 | -6.04 | 1 | 3 | 0 | 39 | 247.367 | 3 | ↓ |
