| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 19 | No |
Popular Name: (E)-3-(2,5-difluorophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (E)-3-(2,5-difluorophenyl)-1-(4-…
| 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) | 3.41 | 6.49 | -11.39 | 1 | 2 | 0 | 37 | 260.239 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 7.29 | -44.47 | 0 | 2 | -1 | 40 | 259.231 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 7880 | 0.38 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 864 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 3570 | 0.40 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 864 | 0.45 | Functional ≤ 10μM |
