| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 23rd, 2010 | 20 | Yes |
Popular Name: 3-[4-[6-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]propan-1-amine 3-[4-[6-(trifluoromethyl)-2-pyri…
| 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) | 1.07 | 6 | -116.16 | 4 | 4 | 2 | 48 | 290.333 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | 3.39 | -6.56 | 2 | 4 | 0 | 45 | 288.317 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 3.76 | -49.59 | 3 | 4 | 1 | 47 | 289.325 | 5 | ↓ |
