| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-1-(azepan-1-yl)-1-(4-fluorophenyl)propan-2-amine (1S,2S)-1-(azepan-1-yl)-1-(4-flu…
| 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) | 2.71 | 7.31 | -121.45 | 4 | 2 | 2 | 32 | 252.377 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 7.07 | -35.67 | 3 | 2 | 1 | 30 | 251.369 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 6.31 | -45.27 | 3 | 2 | 1 | 31 | 251.369 | 3 | ↓ |
