| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2010 | 27 | No |
Popular Name: (8aS,9S)-9-(4-bromophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (8aS,9S)-9-(4-bromophenyl)-3,3,6…
| 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) | 5.38 | 11.63 | -12.34 | 0 | 3 | 0 | 47 | 428.37 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.55 | 11.1 | -8.12 | 0 | 3 | 0 | 47 | 428.37 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0823426A1 | IBM Patent Data |
