| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2006 | 26 | No |
Popular Name: 3-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one 3-(3,4-dimethoxyphenyl)-1-(3,4,5…
None
| 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) | 3.09 | 3.41 | -14.77 | 0 | 6 | 0 | 63 | 358.39 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125-9-O | DU-145 (Prostate Carcinoma) (cluster #9 Of 9), Other | Other | 9210 | 0.27 | Functional ≤ 10μM |
| Z80136-2-O | FM3A (Breast Carcinoma Cells) (cluster #2 Of 6), Other | Other | 10000 | 0.27 | Functional ≤ 10μM |
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 6640 | 0.28 | Functional ≤ 10μM |
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 300 | 0.35 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 8100 | 0.27 | Functional ≤ 10μM |
| Z80356-1-O | OVCAR-5 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other | Other | 8300 | 0.27 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 7850 | 0.27 | Functional ≤ 10μM |
| Z80472-1-O | SiHa (Cervical Squamous Cell Carcinoma) (cluster #1 Of 2), Other | Other | 9350 | 0.27 | Functional ≤ 10μM |
| Z80493-2-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other | Other | 6090 | 0.28 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 6900 | 0.28 | Functional ≤ 10μM |
| Z80874-2-O | CEM (T-cell Leukemia) (cluster #2 Of 7), Other | Other | 1900 | 0.31 | Functional ≤ 10μM |
| Z80945-2-O | HEp-2 (Laryngeal Carcinoma Cells) (cluster #2 Of 4), Other | Other | 6150 | 0.28 | Functional ≤ 10μM |
| Z81201-1-O | HOP-62 (Non-small Cell Lung Carcinoma Cells) (cluster #1 Of 3), Other | Other | 8120 | 0.27 | Functional ≤ 10μM |
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 2000 | 0.31 | Functional ≤ 10μM |
| Z81331-6-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #6 Of 6), Other | Other | 5800 | 0.28 | Functional ≤ 10μM |
| Z81335-2-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 7950 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 6900 | 0.28 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 1900 | 0.31 | Functional ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 9210 | 0.27 | Functional ≤ 10μM |
| Z80136 | Z80136 | FM3A (Breast Carcinoma Cells) | 10000 | 0.27 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 7950 | 0.27 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2000 | 0.31 | Functional ≤ 10μM |
| Z80945 | Z80945 | HEp-2 (Laryngeal Carcinoma Cells) | 6150 | 0.28 | Functional ≤ 10μM |
| Z81201 | Z81201 | HOP-62 (Non-small Cell Lung Carcinoma Cells) | 8120 | 0.27 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 6640 | 0.28 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 300 | 0.35 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 8100 | 0.27 | Functional ≤ 10μM |
| Z80356 | Z80356 | OVCAR-5 (Ovarian Adenocarcinoma Cells) | 8300 | 0.27 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 7850 | 0.27 | Functional ≤ 10μM |
| Z80472 | Z80472 | SiHa (Cervical Squamous Cell Carcinoma) | 9350 | 0.27 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 6090 | 0.28 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 5800 | 0.28 | Functional ≤ 10μM |
