| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2006 | 21 | Yes |
Popular Name: 2'-Hydroxygenistein 2'-Hydroxygenistein
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1156-78-1 , [1156-78-1]
1156-78-1; 2',4',5,7-Tetrahydroxyisoflavone; 2'-Hydroxygenistein; C12134
2'-hydroxygenistein; 5,7,2',4'-tetrahydroxyisoflavone; CPD-6641
3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
4H-1-Benzopyran-4-one,3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-
| 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) | 1.98 | -1.73 | -15.99 | 4 | 6 | 0 | 111 | 286.239 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | -1.38 | -49.12 | 3 | 6 | -1 | 114 | 285.231 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BGLR-1-E | Beta-glucuronidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5900 | 0.35 | Binding ≤ 10μM |
| LYSC1-2-E | Lysozyme C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9700 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BGLR_RAT | P06760 | Beta-glucuronidase, Rat | 5900 | 0.35 | Binding ≤ 10μM |
| LYSC1_RAT | P00697 | Lysozyme C, Rat | 9700 | 0.33 | Binding ≤ 10μM |
