| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 22 | Yes |
Popular Name: 4-[5-(4-fluorophenyl)-2-(2-methoxyethyl)-2H-1,2,3-triazol-4-yl]pyridine 4-[5-(4-fluorophenyl)-2-(2-metho…
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CAS Number: 570376-35-1
| 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) | 2.06 | 5.71 | -6.55 | 0 | 5 | 0 | 53 | 298.321 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548-1-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other | Other | 3756 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 3756 | 0.35 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.