| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2006 | 13 | No |
Popular Name: 1-METHYL-2-METHYLSULPHONYL-5-NITRO-IMIDAZOLE 1-METHYL-2-METHYLSULPHONYL-5-NIT…
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CAS Number: 1615-53-8
| 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) | -0.13 | -2.23 | -13.05 | 0 | 7 | 0 | 97 | 205.195 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-2-O | Trypanosoma Brucei (cluster #2 Of 6), Other | Other | 8000 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418 | Z50418 | Trypanosoma Brucei | 8000 | 0.55 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.