| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 30th, 2011 | 20 | Yes |
Popular Name: (2S)-1-(4-pyridyl)-3-[4-(trifluoromethyl)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) | 2.39 | 7.05 | -55.35 | 3 | 2 | 1 | 41 | 281.301 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 6.76 | -7.27 | 2 | 2 | 0 | 39 | 280.293 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 7.51 | -112.91 | 4 | 2 | 2 | 42 | 282.309 | 5 | ↓ |
