| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 13 | No |
Popular Name: (3aR,4S,7aS)-4-bromo-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione (3aR,4S,7aS)-4-bromo-7a-methyl-2…
| 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) | 1.17 | 5.54 | -8.1 | 0 | 2 | 0 | 34 | 245.116 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1031552A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP1031552A1; US5830885 | IBM Patent Data |
