| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2007 | 25 | No |
Popular Name: 3-benzo[1,3]dioxol-5-yl-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one 3-benzo[1,3]dioxol-5-yl-1-(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 | 2.21 | -14.19 | 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 | 300 | 0.37 | Functional ≤ 10μM |
| Z80356-1-O | OVCAR-5 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other | Other | 5650 | 0.29 | Functional ≤ 10μM |
| Z81201-1-O | HOP-62 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other | Other | 9610 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81201 | Z81201 | HOP-62 (Non-small Cell Lung Carcinoma Cells) | 9610 | 0.28 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 300 | 0.37 | Functional ≤ 10μM |
| Z80356 | Z80356 | OVCAR-5 (Ovarian Adenocarcinoma Cells) | 5650 | 0.29 | Functional ≤ 10μM |
