| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2010 | 16 | Yes |
Popular Name: 1-(2-phenoxyethyl)azepane 1-(2-phenoxyethyl)azepane
| 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) | 3.44 | 8.6 | -33.66 | 1 | 2 | 1 | 14 | 220.336 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 6.48 | -3.71 | 0 | 2 | 0 | 12 | 219.328 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0863755A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
