| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | No |
Popular Name: 1-Methyl-2-((4-(methylthio)phenoxy)methyl)-5-nitro-1H-imidazole 1-Methyl-2-((4-(methylthio)pheno…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 59729-37-2 , [59729-37-2]
| 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) | 2.27 | 1.08 | -9.3 | 0 | 6 | 0 | 72 | 279.321 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-2-O | Trypanosoma Brucei (cluster #2 Of 6), Other | Other | 1000 | 0.44 | Functional ≤ 10μM |
| Z50725-2-O | Trypanosoma Brucei Rhodesiense (cluster #2 Of 7), Other | Other | 700 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418 | Z50418 | Trypanosoma Brucei | 1000 | 0.44 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 700 | 0.45 | Functional ≤ 10μM |
