| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 13 | Yes |
Popular Name: 1-phenylazepane 1-phenylazepane
None
| 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) | 3.45 | 7.79 | -2.21 | 0 | 1 | 0 | 3 | 175.275 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 8.09 | -28.31 | 1 | 1 | 1 | 4 | 176.283 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5593996; WO2000024389A2 | IBM Patent Data |
