| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 22 | Yes |
Popular Name: 6-(4-fluoro-3-methyl-phenyl)-2-piperazin-1-yl-pyrimidine-4-carbonitrile 6-(4-fluoro-3-methyl-phenyl)-2-p…
| 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) | 2.69 | 7.66 | -48.8 | 2 | 5 | 1 | 69 | 298.345 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 6.25 | -7.42 | 1 | 5 | 0 | 65 | 297.337 | 2 | ↓ |
