| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 21 | Yes |
Popular Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-2-methyl-quinazolin-4-one 5,7-dihydroxy-3-(4-hydroxyphenyl…
| 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) | 1.14 | 1.26 | -13.77 | 3 | 6 | 0 | 96 | 284.271 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR2-2-E | Estrogen Receptor Beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1583 | 0.39 | Functional ≤ 10μM |
| Z81247-7-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #7 Of 9), Other | Other | 1583 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ESR2_HUMAN | Q92731 | Estrogen Receptor Beta, Human | 1583 | 0.39 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 1583 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway |
