| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 21 | Yes |
Popular Name: 1H-azepine-1-ethanamine, N-(2-butoxyphenyl)hexahydro- 1H-azepine-1-ethanamine, N-(2-bu…
| 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) | 4.68 | 9.77 | -35.44 | 2 | 3 | 1 | 26 | 291.459 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.68 | 7.67 | -2.63 | 1 | 3 | 0 | 24 | 290.451 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
