| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 21st, 2006 | 24 | No |
Popular Name: 1-(2,5-dimethoxyphenyl)-3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)prop-2-en-1-one 1-(2,5-dimethoxyphenyl)-3-(2,5-d…
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| 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) | 3.36 | 2.14 | -13.02 | 0 | 5 | 0 | 54 | 326.348 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 300 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 300 | 0.38 | Functional ≤ 10μM |
