| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2006 | 20 | No |
Popular Name: (2E)-1-(4-Hydroxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one (2E)-1-(4-Hydroxyphenyl)-3-(4-ni…
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CAS Numbers: , 132248-59-0
2-propen-1-one, 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)-, (2E)-
| 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) | 3.29 | 0.84 | -12.98 | 1 | 5 | 0 | 83 | 269.256 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-3-O | Homo Sapiens (cluster #3 Of 9), Other | Other | 5940 | 0.37 | Functional ≤ 10μM |
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 12), Other | Other | 7320 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 2230 | 0.40 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 7320 | 0.36 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.