| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2006 | 24 | No |
Popular Name: 3-(3-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one 3-(3-methoxyphenyl)-1-(3,4,5-tri…
| 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) | 3.48 | 3.09 | -12.6 | 0 | 5 | 0 | 54 | 328.364 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 4300 | 0.31 | Functional ≤ 10μM |
| Z80874-2-O | CEM (T-cell Leukemia) (cluster #2 Of 7), Other | Other | 2200 | 0.33 | Functional ≤ 10μM |
| Z81020-3-O | HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other | Other | 1800 | 0.34 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 3700 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 2200 | 0.33 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 3700 | 0.32 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 1800 | 0.34 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 4300 | 0.31 | Functional ≤ 10μM |
