UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(4-fluorophenyl)-4-oxo-butanamide N-[(1-ethylbenzimidazol-2-yl)met…

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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) 2.71 9.24 -12.47 1 5 0 64 353.397 7 ↓
Mid Mid (pH 6-8) 2.71 9.73 -33.6 2 5 1 65 354.405 7 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-oxo-butanamide 4-(4-chlorophenyl)-N-[(1-ethylbe…

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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) 3.23 9.7 -12.07 1 5 0 64 369.852 7 ↓
Mid Mid (pH 6-8) 3.23 10.18 -33.1 2 5 1 65 370.86 7 ↓

Analogs

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Popular Name: 4-(2,5-dimethylphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-oxo-butanamide 4-(2,5-dimethylphenyl)-N-[(1-eth…

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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) 3.37 10.53 -11.98 1 5 0 64 363.461 7 ↓
Mid Mid (pH 6-8) 3.37 11.01 -32 2 5 1 65 364.469 7 ↓

Analogs

40188496
40188496
40188497
40188497
40188524
40188524
40188525
40188525
40188526
40188526

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-4-oxo-4-(4-propoxyphenyl)butanamide N-[(1-ethylbenzimidazol-2-yl)met…

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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) 3.48 10.22 -12.87 1 6 0 73 393.487 10 ↓
Mid Mid (pH 6-8) 3.48 10.69 -33.11 2 6 1 74 394.495 10 ↓

Analogs

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Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(4-ethylphenyl)-4-oxo-butanamide N-[(1-ethylbenzimidazol-2-yl)met…

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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) 3.46 10.62 -12.32 1 5 0 64 363.461 8 ↓
Mid Mid (pH 6-8) 3.46 11.1 -32.43 2 5 1 65 364.469 8 ↓

Analogs

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Popular Name: 4-(3,4-dimethylphenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-oxo-butanamide 4-(3,4-dimethylphenyl)-N-[(1-eth…

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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) 3.37 10.38 -12.84 1 5 0 64 363.461 7 ↓
Mid Mid (pH 6-8) 3.37 10.87 -32.71 2 5 1 65 364.469 7 ↓

Parameters Provided:

ring.id = 76860
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 = 76860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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