| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2011 | 24 | Yes |
Popular Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,5-difluoro-benzonitrile 4-[4-(2,3-dimethylphenyl)piperaz…
| 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) | 4.37 | 12.03 | -4.98 | 0 | 3 | 0 | 30 | 327.378 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 11.92 | -34.73 | 1 | 3 | 1 | 31 | 328.386 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
