| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 28 | Yes |
Popular Name: 7-[3-(4-phenyl-1,4-diazepan-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one 7-[3-(4-phenyl-1,4-diazepan-1-yl…
| 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) | 3.82 | 11.1 | -48.53 | 2 | 5 | 1 | 46 | 380.512 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.82 | 9.26 | -9.84 | 1 | 5 | 0 | 45 | 379.504 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4734416; US4824840 | IBM Patent Data |
