| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 30 | No |
Popular Name: 4-[(E)-2-bromo-1-[4-(2-diethylaminoethoxy)phenyl]-2-phenyl-vinyl]phenol 4-[(E)-2-bromo-1-[4-(2-diethylam…
| 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) | 6.18 | 13.77 | -39.26 | 2 | 3 | 1 | 34 | 467.427 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.18 | 11.46 | -8.49 | 1 | 3 | 0 | 33 | 466.419 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 0.36 | 0.44 | Functional ≤ 10μM |
