| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2005 | 17 | No |
Popular Name: (2E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one (2E)-1-(4-aminophenyl)-3-phenylp…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2403-30-7 , [2403-30-7] , [38239-51-9]
| 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) | 2.89 | 0.21 | -8.81 | 2 | 2 | 0 | 43 | 223.275 | 3 | ↓ |
| 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 | 7700 | 0.42 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 4), Other | Other | 8500 | 0.42 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 7700 | 0.42 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 8500 | 0.42 | ADME/T ≤ 10μM |
