| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 23 | Yes |
Popular Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]benzonitrile 2-[[4-[(4-chlorophenyl)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) | 3.42 | 10.35 | -42.71 | 1 | 3 | 1 | 31 | 326.851 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 10.15 | -36.18 | 1 | 3 | 1 | 31 | 326.851 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 7.97 | -6.27 | 0 | 3 | 0 | 30 | 325.843 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
