| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 22 | Yes |
Popular Name: 5-Hydroxy-6,7-dimethoxy-2-phenyl-4H-chromen-4-one 5-Hydroxy-6,7-dimethoxy-2-phenyl…
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CAS Number: 740-33-0
| 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) | 3.27 | 6.51 | -11.86 | 1 | 5 | 0 | 69 | 298.294 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 7.57 | -60.5 | 0 | 5 | -1 | 72 | 297.286 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80188-1-O | KB 3-1 (Cervical Epithelial Carcinoma Cells) (cluster #1 Of 2), Other | Other | 4600 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80188 | Z80188 | KB 3-1 (Cervical Epithelial Carcinoma Cells) | 4600 | 0.34 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.