| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2008 | 25 | No |
Popular Name: (3E,5E)-3,5-bis[(4-methoxyphenyl)methylene]piperidin-4-one (3E,5E)-3,5-bis[(4-methoxyphenyl…
| 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) | 3.47 | 6.71 | -8.35 | 1 | 4 | 0 | 48 | 335.403 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 8.06 | -48.04 | 2 | 4 | 1 | 52 | 336.411 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 1540 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 1540 | 0.33 | Functional ≤ 10μM |
