| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 30th, 2011 | 21 | Yes |
Popular Name: (2S)-1-(4-pyridyl)-3-[4-(trifluoromethoxy)phenyl]propan-2-amine (2S)-1-(4-pyridyl)-3-[4-(trifluo…
| 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) | 2.46 | 5.84 | -54.19 | 3 | 3 | 1 | 50 | 297.3 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 5.55 | -6.68 | 2 | 3 | 0 | 48 | 296.292 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 6.3 | -111.25 | 4 | 3 | 2 | 51 | 298.308 | 6 | ↓ |
