| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2006 | 24 | Yes |
Popular Name: 7-hydroxy-3-(3-methylphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one 7-hydroxy-3-(3-methylphenoxy)-2-…
Find On: PubMed — Wikipedia — Google
CAS Number: N/A
| 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) | 4.56 | 7.36 | -12.92 | 1 | 4 | 0 | 60 | 336.265 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.56 | 8.15 | -36.85 | 0 | 4 | -1 | 63 | 335.257 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1-1-E | Estrogen Receptor Alpha (cluster #1 Of 3), Eukaryotic | Eukaryotes | 231 | 0.39 | Functional ≤ 10μM |
| ESR2-2-E | Estrogen Receptor Beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 71 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1_HUMAN | P03372 | Estrogen Receptor Alpha, Human | 231 | 0.39 | Functional ≤ 10μM |
| ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 71 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
