| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2006 | 24 | No |
Popular Name: 1-(3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one 1-(3-methoxyphenyl)-3-(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 | 3.06 | -14.84 | 0 | 5 | 0 | 54 | 328.364 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 7080 | 0.30 | Functional ≤ 10μM |
| Z80356-1-O | OVCAR-5 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 2), Other | Other | 9000 | 0.29 | Functional ≤ 10μM |
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 8070 | 0.30 | Functional ≤ 10μM |
| Z81335-2-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 4900 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 8070 | 0.30 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 4900 | 0.31 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 7080 | 0.30 | Functional ≤ 10μM |
| Z80356 | Z80356 | OVCAR-5 (Ovarian Adenocarcinoma Cells) | 9000 | 0.29 | Functional ≤ 10μM |
