| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 23 | Yes |
Popular Name: N-[2-(trifluoromethyl)phenyl]quinoline-8-carboxamide N-[2-(trifluoromethyl)phenyl]qui…
None
| 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) | 3.63 | 8.57 | -14.79 | 1 | 3 | 0 | 42 | 316.282 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 6600 | 0.32 | Functional ≤ 10μM |
| Z81072-6-O | Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other | Other | 5200 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 5200 | 0.32 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 6600 | 0.32 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
