| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 15 | Yes |
Popular Name: (4aS,8aS)-6-methyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one (4aS,8aS)-6-methyl-4a,5,7,8,8a,9…
| 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) | 1.49 | 6.07 | -42.88 | 2 | 3 | 1 | 37 | 205.281 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 3.69 | -11.17 | 1 | 3 | 0 | 36 | 204.273 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4260762; US4349678; US4442291 | IBM Patent Data |
