| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 21 | Yes |
Popular Name: 2-(2-piperazin-1-ylethylamino)-5-(trifluoromethyl)benzonitrile 2-(2-piperazin-1-ylethylamino)-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) | 1.70 | 4.03 | -45.29 | 3 | 4 | 1 | 56 | 299.32 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 6.3 | -130.07 | 4 | 4 | 2 | 57 | 300.328 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 4.96 | -45.67 | 3 | 4 | 1 | 52 | 299.32 | 5 | ↓ |
