| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2006 | 25 | No |
Popular Name: 1-benzo[1,3]dioxol-5-yl-3-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one 1-benzo[1,3]dioxol-5-yl-3-(3,4,5…
| 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) | 3.33 | 7.06 | -15.6 | 0 | 6 | 0 | 63 | 342.347 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 2900 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 2900 | 0.31 | Functional ≤ 10μM |
