| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | Yes |
Popular Name: 1-(1-methyl-1H-benzimidazol-2-yl)ethanone 1-(1-methyl-1H-benzimidazol-2-yl…
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CAS Number: 942-25-6
1-(1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one
1-(1-Methyl-1H-benzo[d]imidazol-2-yl)ethanone
| 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) | 1.50 | 5.57 | -7.6 | 0 | 3 | 0 | 35 | 174.203 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 67 - 69 | Enamine Building Blocks |
| MP | 67...69 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50467-2-O | Trichomonas Vaginalis (cluster #2 Of 3), Other | Other | 210 | 0.72 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 86 | 0.76 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50468 | Z50468 | Giardia Intestinalis | 86.1 | 0.76 | Functional ≤ 10μM |
| Z50467 | Z50467 | Trichomonas Vaginalis | 209.5 | 0.72 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.