| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 14 | Yes |
Popular Name: 1-(6-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol 1-(6-chloro-1-methyl-1H-1,3-benz…
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CAS Number: 1145670-41-2
| 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) | 1.82 | 3.34 | -7.16 | 1 | 3 | 0 | 38 | 210.664 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 3.97 | -29.27 | 2 | 3 | 1 | 39 | 211.672 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 149 - 151 | Enamine Building Blocks |
| MP | 149...151 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50467-2-O | Trichomonas Vaginalis (cluster #2 Of 3), Other | Other | 109 | 0.70 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 71 | 0.71 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50468 | Z50468 | Giardia Intestinalis | 71.2 | 0.71 | Functional ≤ 10μM |
| Z50467 | Z50467 | Trichomonas Vaginalis | 109.1 | 0.70 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.