| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2010 | 21 | Yes |
Popular Name: 3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]benzonitrile 3-[4-(2,2,2-trifluoroethyl)piper…
| 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) | 1.45 | 5.56 | -10.16 | 0 | 4 | 0 | 47 | 297.28 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.45 | 7.61 | -49.43 | 1 | 4 | 1 | 49 | 298.288 | 3 | ↓ |
