| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 11th, 2006 | 24 | No |
Popular Name: 1-(3,4,5-Trimethoxyphenyl)-3-(4-methoxyphenyl) prop-2-en-1-one 1-(3,4,5-Trimethoxyphenyl)-3-(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) | 3.50 | 3.08 | -12.19 | 0 | 5 | 0 | 54 | 328.364 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80136-2-O | FM3A (Breast Carcinoma Cells) (cluster #2 Of 6), Other | Other | 8400 | 0.30 | Functional ≤ 10μM |
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 300 | 0.38 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 2800 | 0.32 | Functional ≤ 10μM |
| Z80874-2-O | CEM (T-cell Leukemia) (cluster #2 Of 7), Other | Other | 1500 | 0.34 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 1300 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 1500 | 0.34 | Functional ≤ 10μM |
| Z80136 | Z80136 | FM3A (Breast Carcinoma Cells) | 8400 | 0.30 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 1300 | 0.34 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 300 | 0.38 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 2800 | 0.32 | Functional ≤ 10μM |
