| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 23 | Yes |
Popular Name: 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]benzonitrile 4-[[4-[(3-fluorophenyl)methyl]pi…
| 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) | 2.93 | 9.88 | -49.01 | 1 | 3 | 1 | 31 | 310.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 9.88 | -46.53 | 1 | 3 | 1 | 31 | 310.396 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 7.61 | -6.83 | 0 | 3 | 0 | 30 | 309.388 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
