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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopropyl-2-(2-methylbenzimidazol-1-yl)ethanone 1-cyclopropyl-2-(2-methylbenzimi…

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Physical Representations

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) 1.62 8.26 -15.31 0 3 0 35 214.268 3 ↓
Mid Mid (pH 6-8) 1.62 8.7 -31.41 1 3 1 36 215.276 3 ↓

Analogs

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Popular Name: 2-(benzimidazol-1-yl)-1-cyclopropyl-ethanone 2-(benzimidazol-1-yl)-1-cyclopro…

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Physical Representations

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) 1.54 8.46 -14.93 0 3 0 35 200.241 3 ↓
Mid Mid (pH 6-8) 1.54 8.94 -36.32 1 3 1 36 201.249 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(5,6-dimethylbenzimidazol-1-yl)ethanone 1-cyclopropyl-2-(5,6-dimethylben…

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Physical Representations

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) 2.34 9.69 -15.23 0 3 0 35 228.295 3 ↓
Mid Mid (pH 6-8) 2.34 10.17 -36.19 1 3 1 36 229.303 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(5,6-difluorobenzimidazol-1-yl)ethanone 1-cyclopropyl-2-(5,6-difluoroben…

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Physical Representations

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) 1.77 8.59 -14.44 0 3 0 35 236.221 3 ↓
Lo Low (pH 4.5-6) 1.77 9.07 -44.54 1 3 1 36 237.229 3 ↓

Analogs

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Popular Name: 1-cyclopropyl-2-(2-ethylbenzimidazol-1-yl)ethanone 1-cyclopropyl-2-(2-ethylbenzimid…

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Physical Representations

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) 2.20 8.87 -14.91 0 3 0 35 228.295 4 ↓
Mid Mid (pH 6-8) 2.20 9.26 -30.25 1 3 1 36 229.303 4 ↓

Analogs

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Popular Name: 2-[1-(2-cyclopropyl-2-oxo-ethyl)benzimidazol-2-yl]acetonitrile 2-[1-(2-cyclopropyl-2-oxo-ethyl)…

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Physical Representations

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) 1.61 8.59 -16.32 0 4 0 59 239.278 4 ↓
Lo Low (pH 4.5-6) 1.61 9.01 -38.36 1 4 1 60 240.286 4 ↓

Parameters Provided:

ring.id = 245541
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 245541 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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