| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 28 | No |
Popular Name: (3E,5E)-1-methyl-3,5-bis[(4-nitrophenyl)methylene]piperidin-4-one (3E,5E)-1-methyl-3,5-bis[(4-nitr…
| 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) | 3.87 | 10.73 | -13.63 | 0 | 8 | 0 | 112 | 379.372 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.87 | 13.09 | -63.07 | 1 | 8 | 1 | 113 | 380.38 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 4), Other | Other | 5210 | 0.26 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 5210 | 0.26 | ADME/T ≤ 10μM |
