| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]azepan-2-one (3S)-3-[[4-(trifluoromethyl)phen…
| 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 | 6.02 | -49.63 | 3 | 3 | 1 | 46 | 287.305 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 5.67 | -8.4 | 2 | 3 | 0 | 41 | 286.297 | 4 | ↓ |
