| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2006 | 21 | Yes |
Popular Name: CALYCOSIN CALYCOSIN
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20575-57-9 , [20575-57-9]
20575-57-9; 3',7-dihydroxy-4'-methoxyisoflavone; 3'-hydroxyformononetin; CPD-9539; calycosin
7 3@-dihydroxy-4@-methoxysoflavone
7-Hydroxy-3-(3-hydroxy-4-methoxy-phenyl)chromen-4-one
7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
| 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) | 2.38 | 2.64 | -12.54 | 2 | 5 | 0 | 80 | 284.267 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 2.74 | -43.59 | 1 | 5 | -1 | 83 | 283.259 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | WO2006107273 | ChEBI |
