| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2009 | 23 | Yes |
Popular Name: 4-[[4-[(1S)-1-phenylethyl]piperazin-1-yl]methyl]benzonitrile 4-[[4-[(1S)-1-phenylethyl]pipera…
| 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) | 3.35 | 10.63 | -48.21 | 1 | 3 | 1 | 31 | 306.433 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 10.45 | -40.73 | 1 | 3 | 1 | 31 | 306.433 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 8.37 | -5.8 | 0 | 3 | 0 | 30 | 305.425 | 4 | ↓ |
