| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 27 | Yes |
Popular Name: (4aR,8aR)-2-benzoyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one (4aR,8aR)-2-benzoyl-4a-(3-methox…
| 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) | 2.95 | 9.67 | -13.37 | 0 | 4 | 0 | 47 | 363.457 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0485636A1; EP0485636B1; EP0735026A1; US5244904; US5539119 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US4301290 | IBM Patent Data |
