| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2009 | 29 | Yes |
Popular Name: 3-[[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1-piperidyl]methyl]benzonitrile 3-[[4-[4-[(4-fluorophenyl)methyl…
| 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 | 12.86 | -105.04 | 2 | 4 | 2 | 36 | 394.538 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 10.54 | -50.08 | 1 | 4 | 1 | 35 | 393.53 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 12.77 | -123.52 | 2 | 4 | 2 | 36 | 394.538 | 5 | ↓ |
