| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 29 | Yes |
Popular Name: 4-[(Z)-1-[4-(2-diethylaminoethoxy)phenyl]-2-phenyl-vinyl]phenol 4-[(Z)-1-[4-(2-diethylaminoethox…
| 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) | 5.95 | 13.14 | -38.3 | 2 | 3 | 1 | 34 | 388.531 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.95 | 10.83 | -8.74 | 1 | 3 | 0 | 33 | 387.523 | 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 | 1 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 1.11 | 0.43 | Functional ≤ 10μM |
