| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 32 | Yes |
Popular Name: 1-[2-[4-[(1S,2R)-6-methoxy-2-phenyl-tetralin-1-yl]phenoxy]ethyl]pyrrolidine 1-[2-[4-[(1S,2R)-6-methoxy-2-phe…
| 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) | 6.60 | 15.22 | -35.98 | 1 | 3 | 1 | 23 | 428.596 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1-1-E | Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic | Eukaryotes | 132 | 0.30 | Binding ≤ 10μM |
| ESR2-1-E | Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 132 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1_RAT | P06211 | Estrogen Receptor Alpha, Rat | 132 | 0.30 | Binding ≤ 1μM |
| ESR2_RAT | Q62986 | Estrogen Receptor Beta, Rat | 132 | 0.30 | Binding ≤ 1μM |
| ESR1_RAT | P06211 | Estrogen Receptor Alpha, Rat | 132 | 0.30 | Binding ≤ 10μM |
| ESR2_RAT | Q62986 | Estrogen Receptor Beta, Rat | 132 | 0.30 | Binding ≤ 10μM |
