| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2004 | 27 | Yes |
Popular Name: 2-[4-hydroxy-3-(methyloxy)phenyl]-3-(phenylmethyl)-2,3-dihydroquinazolin-4(1H)-one 2-[4-hydroxy-3-(methyloxy)phenyl…
| 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) | 2.88 | -2.11 | -15.18 | 2 | 5 | 0 | 61 | 360.413 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1-1-E | Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1100 | 0.31 | Binding ≤ 10μM |
| ESR2-3-E | Estrogen Receptor Beta (cluster #3 Of 4), Eukaryotic | Eukaryotes | 6200 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR1_HUMAN | P03372 | Estrogen Receptor Alpha, Human | 1100 | 0.31 | Binding ≤ 10μM |
| ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 6200 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
