| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 19 | No |
Popular Name: 4'-Hydroxy-4-methoxychalcone 4'-Hydroxy-4-methoxychalcone
Find On: PubMed — Wikipedia — Google
CAS Number: 6338-81-4
| 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) | 3.39 | 5.7 | -9.81 | 1 | 3 | 0 | 47 | 254.285 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 6.47 | -45.76 | 0 | 3 | -1 | 49 | 253.277 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 187 - 189 | MolMall (formerly Molecular Diversity Preservation International) |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-3-O | Homo Sapiens (cluster #3 Of 9), Other | Other | 5900 | 0.39 | Functional ≤ 10μM |
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 9900 | 0.37 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 8700 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 5900 | 0.39 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 9900 | 0.37 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 8700 | 0.37 | Functional ≤ 10μM |
