| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 21 | Yes |
Popular Name: 2-(4-isopropylpiperazin-1-yl)-5-(trifluoromethyl)benzonitrile 2-(4-isopropylpiperazin-1-yl)-5-…
| 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) | 3.18 | 9.95 | -39.86 | 1 | 3 | 1 | 31 | 298.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 7.8 | -5.45 | 0 | 3 | 0 | 30 | 297.324 | 3 | ↓ |
