In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2006 | 27 | No |
Popular Name: 3,5-bis[(4-chlorophenyl)methylene]-1-prop-2-enoyl-piperidin-4-one 3,5-bis[(4-chlorophenyl)methylen…
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) | 5.27 | 1.68 | -10.99 | 0 | 3 | 0 | 37 | 398.289 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80193-4-O | L1210 (Lymphocytic Leukemia Cells) (cluster #4 Of 12), Other | Other | 1960 | 0.30 | Functional ≤ 10μM |
Z80362-7-O | P388 (Lymphoma Cells) (cluster #7 Of 8), Other | Other | 150 | 0.35 | Functional ≤ 10μM |
Z80874-3-O | CEM (T-cell Leukemia) (cluster #3 Of 7), Other | Other | 490 | 0.33 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80874 | Z80874 | CEM (T-cell Leukemia) | 490 | 0.33 | Functional ≤ 10μM |
Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1960 | 0.30 | Functional ≤ 10μM |
Z80362 | Z80362 | P388 (Lymphoma Cells) | 150 | 0.35 | Functional ≤ 10μM |