| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 17 | Yes |
Popular Name: (4aS,8aR)-3-ethyl-2-methyl-1,4a,5,6,7,8,8a,9-octahydropyrrolo[2,3-g]isoquinolin-4-one (4aS,8aR)-3-ethyl-2-methyl-1,4a,…
| 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) | 1.95 | 5.5 | -50.06 | 3 | 3 | 1 | 49 | 233.335 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 4.13 | -10.37 | 2 | 3 | 0 | 45 | 232.327 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4260762; US4349678; US4442291 | IBM Patent Data |
