| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2010 | 29 | No |
Popular Name: (3E,5E)-3,5-bis[(4-methoxyphenyl)methylene]-1-prop-2-enoyl-piperidin-4-one (3E,5E)-3,5-bis[(4-methoxyphenyl…
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| 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) | 4.03 | 9.74 | -13.56 | 0 | 5 | 0 | 56 | 389.451 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 680 | 0.30 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 2670 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 2670 | 0.27 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 680 | 0.30 | Functional ≤ 10μM |
