In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2008 | 18 | Yes |
Popular Name: (4aR,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one (4aR,8aS)-3-ethyl-2,6-dimethyl-4…
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) | 2.55 | 0.85 | -45.05 | 2 | 3 | 1 | 37 | 247.362 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4349678; US4442291 | IBM Patent Data |