| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 18 | Yes |
Popular Name: (2S)-2-(azepan-1-yl)-2-(3,5-dimethylphenyl)ethanamine (2S)-2-(azepan-1-yl)-2-(3,5-dime…
| 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) | 2.97 | 8.47 | -122.22 | 4 | 2 | 2 | 32 | 248.414 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 8.27 | -28.09 | 3 | 2 | 1 | 30 | 247.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 6.47 | -46.37 | 3 | 2 | 1 | 31 | 247.406 | 3 | ↓ |
