| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 20 | Yes |
Popular Name: (2S)-2-(azepan-1-yl)-2-(3,5-dimethoxyphenyl)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) | 2.18 | 5.5 | -131.18 | 4 | 4 | 2 | 51 | 280.412 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 3.37 | -47.59 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 5.16 | -33.19 | 3 | 4 | 1 | 49 | 279.404 | 5 | ↓ |
