| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 31st, 2006 | 22 | Yes |
3',5,7-Trihydroxy-4'-methoxyisoflavone;5,7,3'-Trihydroxy-4'-methoxyisoflavone;Pratensein
3'-hydroxy-biochanin A; CPD-3622; pratensein; pratensin
| 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) | 2.09 | 1.36 | -17.72 | 3 | 6 | 0 | 100 | 300.266 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 2.04 | -63.92 | 2 | 6 | -1 | 103 | 299.258 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0840804A1; EP0840804B1; EP0850320A2; EP0850320B1; EP0868535A2; EP0868535B1; EP0962464A2; EP0962537A2; EP0992511A1; EP1003470A2; EP1011630A1; US6027890; US6030620; US6146668; US6153208; WO1997027325A2; WO1997027327A2; WO1997027331A2; WO1999004748A2; WO19 | IBM Patent Data |
