| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 31 | Yes |
Popular Name: 6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-ol 6-phenyl-5-[4-(2-pyrrolidin-1-yl…
| 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) | 5.60 | 13.68 | -38.11 | 2 | 3 | 1 | 33 | 412.553 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1-1-E | Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic | Eukaryotes | 47 | 0.33 | Binding ≤ 10μM |
| ESR2-1-E | Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 47 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1_RAT | P06211 | Estrogen Receptor Alpha, Rat | 47.1 | 0.33 | Binding ≤ 1μM |
| ESR2_RAT | Q62986 | Estrogen Receptor Beta, Rat | 47.1 | 0.33 | Binding ≤ 1μM |
| ESR1_RAT | P06211 | Estrogen Receptor Alpha, Rat | 47.1 | 0.33 | Binding ≤ 10μM |
| ESR2_RAT | Q62986 | Estrogen Receptor Beta, Rat | 47.1 | 0.33 | Binding ≤ 10μM |
