| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 19 | Yes |
Popular Name: (4aS,8aR)-3-ethyl-1,2,6-trimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-4-one (4aS,8aR)-3-ethyl-1,2,6-trimethy…
| 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) | 2.62 | 9.25 | -45.47 | 1 | 3 | 1 | 26 | 261.389 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 6.87 | -10.93 | 0 | 3 | 0 | 25 | 260.381 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4260762; US4349678; US4442291 | IBM Patent Data |
