| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 20 | Yes |
Popular Name: 4-[(2S,5S)-2,5-dimethylpiperazin-1-yl]-2-(trifluoromethyl)benzonitrile 4-[(2S,5S)-2,5-dimethylpiperazin…
| 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) | 2.92 | 7.06 | -52.17 | 2 | 3 | 1 | 44 | 284.305 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 5.92 | -7.18 | 1 | 3 | 0 | 39 | 283.297 | 2 | ↓ |
