| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2006 | 19 | Yes |
Popular Name: 3,7-Dihydroxyflavone 3,7-Dihydroxyflavone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108238-40-0 , 206360-23-8 , 492-00-2 , CAS# 492-00-2 , [492-00-2]
3,7-Dihydroxy-2-phenyl-4H-chromen-4-one
3,7-Dihydroxyflavone monohydrate
| 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) | 2.94 | 3.81 | -8.58 | 2 | 4 | 0 | 71 | 254.241 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 4.61 | -54.49 | 1 | 4 | -1 | 73 | 253.233 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P. | 257-259 C | Indofine |
| MP | 257-259o C | Indofine |
| APPEARANCE | Off white crystals | Indofine |
| SOLUBILITY | Soluble in an Aqueous alcoholic mixture | Indofine |
| SOLUBILITY | Soluble in aqueous alcoholic mixture | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D5-1-E | Enoyl-acyl-carrier Protein Reductase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q965D5_PLAFA | Q965D5 | Enoyl-acyl-carrier Protein Reductase, Plafa | 10000 | 0.37 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.