| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 33 | Yes |
Popular Name: [6-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone [6-methoxy-2-(4-methoxyphenyl)be…
| 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) | 5.93 | 2.27 | -11.78 | 0 | 6 | 0 | 63 | 464.539 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80053-1-O | CA46 (Burkitts Lymphoma Cells) (cluster #1 Of 1), Other | Other | 2000 | 0.24 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 640 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80053 | Z80053 | CA46 (Burkitts Lymphoma Cells) | 2000 | 0.24 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 2000 | 0.24 | Functional ≤ 10μM |
