| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 23 | Yes |
Popular Name: 4-[2-(4-fluorophenyl)-1-(4-hydroxyphenyl)vinyl]phenol 4-[2-(4-fluorophenyl)-1-(4-hydro…
| 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) | 4.80 | 7.1 | -11.13 | 2 | 2 | 0 | 40 | 306.336 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1-1-E | Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3 | 0.52 | Binding ≤ 10μM |
| ESR2-1-E | Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1_RAT | P06211 | Estrogen Receptor Alpha, Rat | 170 | 0.41 | Binding ≤ 1μM |
| ESR2_RAT | Q62986 | Estrogen Receptor Beta, Rat | 170 | 0.41 | Binding ≤ 1μM |
| ESR1_RAT | P06211 | Estrogen Receptor Alpha, Rat | 170 | 0.41 | Binding ≤ 10μM |
| ESR2_RAT | Q62986 | Estrogen Receptor Beta, Rat | 170 | 0.41 | Binding ≤ 10μM |
