| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 21 | No |
Popular Name: (2E)-1-(4-aminophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one (2E)-1-(4-aminophenyl)-3-(2,3-di…
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CAS Numbers: , 807642-54-2 , [807642-54-2]
(2E)-1-(4-Aminophenyl)-3-(2,3-dimethoxyphenyl)-prop-2-en-1-one
| 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) | 2.53 | 6.47 | -13.69 | 2 | 4 | 0 | 62 | 283.327 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-2-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #2 Of 9), Other | Other | 6800 | 0.34 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 4), Other | Other | 7600 | 0.34 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 6800 | 0.34 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 7600 | 0.34 | ADME/T ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.