| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2006 | 21 | No |
Popular Name: 1-(4-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-prop-2-en-1-one 1-(4-hydroxyphenyl)-3-[4-(triflu…
| 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) | 4.23 | 2.49 | -9.41 | 1 | 2 | 0 | 37 | 292.256 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-3-O | Homo Sapiens (cluster #3 Of 9), Other | Other | 6330 | 0.35 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 2490 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 1880 | 0.38 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 2490 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.