| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 17 | Yes |
Popular Name: (4aR,8aR)-2,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one (4aR,8aR)-2,3,6-trimethyl-4a,5,7…
| 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) | 2.08 | 7.25 | -42.31 | 2 | 3 | 1 | 37 | 233.335 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 4.85 | -10.56 | 1 | 3 | 0 | 36 | 232.327 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4260762; US4349678; US4442291 | IBM Patent Data |
