| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 19 | Yes |
Popular Name: 2-(azepan-1-yl)-N-[(3,5-dimethylphenyl)methyl]ethanamine 2-(azepan-1-yl)-N-[(3,5-dimethyl…
| 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) | 3.77 | 10.32 | -118.62 | 3 | 2 | 2 | 21 | 262.441 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 8.96 | -32.91 | 2 | 2 | 1 | 16 | 261.433 | 5 | ↓ |
