| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 28 | Yes |
Popular Name: 4-[5-ethyl-2,4-bis(4-hydroxyphenyl)imidazol-1-yl]phenol 4-[5-ethyl-2,4-bis(4-hydroxyphen…
| 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) | 4.41 | 6.03 | -28.88 | 4 | 5 | 1 | 80 | 373.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.41 | 5.56 | -11.58 | 3 | 5 | 0 | 79 | 372.424 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 77 | 0.36 | Functional ≤ 10μM |
| Z80226-1-O | MCF7-2A (cluster #1 Of 1), Other | Other | 77 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 77 | 0.36 | Functional ≤ 10μM |
| Z80226 | Z80226 | MCF7-2A | 77 | 0.36 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
