| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 26 | No |
Popular Name: (E)-1-(2,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one (E)-1-(2,6-dimethoxyphenyl)-3-(2…
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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) | 3.68 | 6.37 | -17.26 | 0 | 6 | 0 | 63 | 358.39 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 7000 | 0.28 | Functional ≤ 10μM |
| Z80331-1-O | N2a (Neuroblastoma Cells) (cluster #1 Of 1), Other | Other | 2200 | 0.30 | Functional ≤ 10μM |
| Z80525-1-O | SW48 (cluster #1 Of 2), Other | Other | 250 | 0.36 | Functional ≤ 10μM |
| Z80874-2-O | CEM (T-cell Leukemia) (cluster #2 Of 7), Other | Other | 650 | 0.33 | Functional ≤ 10μM |
| Z80928-6-O | HCT-116 (Colon Carcinoma Cells) (cluster #6 Of 9), Other | Other | 450 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 650 | 0.33 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 450 | 0.34 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 7000 | 0.28 | Functional ≤ 10μM |
| Z80331 | Z80331 | N2a (Neuroblastoma Cells) | 2200 | 0.30 | Functional ≤ 10μM |
| Z80525 | Z80525 | SW48 | 250 | 0.36 | Functional ≤ 10μM |
