| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 20 | Yes |
Popular Name: 1H-azepine-1-ethanamine, hexahydro-N-[3-(1-methylethoxy)phenyl]- 1H-azepine-1-ethanamine, hexahyd…
| 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) | 4.01 | 8.67 | -39.37 | 2 | 3 | 1 | 26 | 277.432 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.01 | 6.82 | -3.5 | 1 | 3 | 0 | 24 | 276.424 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
