UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-chlorophenyl)-2-[2-(methoxymethyl)benzimidazol-1-yl]ethanone 1-(4-chlorophenyl)-2-[2-(methoxy…

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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) 3.38 9.05 -15.51 0 4 0 44 314.772 5 ↓
Lo Low (pH 4.5-6) 3.38 9.74 -33.89 1 4 1 45 315.78 5 ↓

Analogs

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Popular Name: 2-[2-(methoxymethyl)benzimidazol-1-yl]-1-phenyl-ethanone 2-[2-(methoxymethyl)benzimidazol…

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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) 2.70 8.52 -15.84 0 4 0 44 280.327 5 ↓
Lo Low (pH 4.5-6) 2.70 9.22 -31.61 1 4 1 45 281.335 5 ↓

Analogs

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Popular Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[2-(3-hydroxypropylamino)-5-nitro-benzimidazol-1-yl]ethanone 1-(3,5-ditert-butyl-4-hydroxy-ph…

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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) 5.45 11.82 -18.56 3 9 0 133 482.581 10 ↓

Analogs

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Popular Name: 2-[6-bromo-2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone 2-[6-bromo-2-(3-hydroxypropylami…

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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) 6.30 11.74 -14.44 3 6 0 87 516.48 9 ↓
Mid Mid (pH 6-8) 6.30 12.17 -36.58 4 6 1 89 517.488 9 ↓

Analogs

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Popular Name: 2-[6-amino-2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone 2-[6-amino-2-(3-hydroxypropylami…

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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) 4.56 9.43 -33.51 6 7 1 115 453.607 9 ↓
Mid Mid (pH 6-8) 4.56 8.99 -16.91 5 7 0 113 452.599 9 ↓

Analogs

40150980
40150980

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Popular Name: 1-(3-bromophenyl)-2-[3-(2-diethylaminoethyl)-2-imino-benzimidazol-1-yl]ethanone 1-(3-bromophenyl)-2-[3-(2-diethy…

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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) 0.35 15.45 -100.07 3 5 2 56 431.378 8 ↓
Hi High (pH 8-9.5) 0.35 13.29 -34.91 2 5 1 55 430.37 8 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]ethanone 1-(4-ethoxyphenyl)-2-[2-(3-hydro…

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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) 2.89 9.03 -38.72 3 6 1 78 354.43 9 ↓

Analogs

5034060
5034060

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Popular Name: 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-(2,4,5-trimethylphenyl)ethanone 2-[2-(2-hydroxyethylamino)benzim…

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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) 3.39 9.75 -32.71 3 5 1 68 338.431 6 ↓

Analogs

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Popular Name: 2-(2-ethylbenzimidazol-1-yl)-1-(o-tolyl)ethanone 2-(2-ethylbenzimidazol-1-yl)-1-(…

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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) 3.70 10.83 -14.59 0 3 0 35 278.355 4 ↓
Mid Mid (pH 6-8) 3.70 11.24 -31.35 1 3 1 36 279.363 4 ↓

Analogs

34980181
34980181
34980545
34980545

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Popular Name: 1-(4-fluorophenyl)-2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]-1-ethanone 1-(4-fluorophenyl)-2-[2-(trifluo…

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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) 3.81 9.87 -14.03 0 3 0 35 322.261 4 ↓

Analogs

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Popular Name: 2-(2-amino-3-heptyl-benzimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone 2-(2-amino-3-heptyl-benzimidazol…

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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) 1.69 16.78 -42.27 2 7 1 98 395.483 10 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-2-(2-imino-3-methyl-benzoimidazol-1-yl)-ethanone 1-(3-bromophenyl)-2-(2-imino-3-m…

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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) -0.44 11.84 -33.48 2 4 1 52 345.22 3 ↓

Analogs

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Popular Name: 2-(2-methylsulfonylbenzimidazol-1-yl)-1-(o-tolyl)ethanone 2-(2-methylsulfonylbenzimidazol-…

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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) 2.84 6.99 -24.88 0 5 0 69 328.393 4 ↓

Parameters Provided:

ring.id = 7363
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 = 7363 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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