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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-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]-2-(methoxymethyl)benzimidazole 1-[4-(4-chloro-3,5-dimethyl-phen…

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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) 5.21 11.34 -11.84 0 4 0 36 372.896 8 ↓
Lo Low (pH 4.5-6) 5.21 12.03 -29.97 1 4 1 38 373.904 8 ↓

Analogs

20897568
20897568
39900104
39900104
39900105
39900105
39900106
39900106
39900107
39900107

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Popular Name: (1R)-1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]butan-1-ol (1R)-1-[1-[4-(3-methylphenoxy)bu…

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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) 4.88 10.08 -12.78 1 4 0 47 352.478 9 ↓
Mid Mid (pH 6-8) 4.88 10.5 -31.99 2 4 1 49 353.486 9 ↓

Analogs

39900104
39900104
39900105
39900105
39900106
39900106
39900107
39900107
39900108
39900108

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]butan-1-ol (1S)-1-[1-[4-(3-methylphenoxy)bu…

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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) 4.88 10.08 -12.76 1 4 0 47 352.478 9 ↓
Mid Mid (pH 6-8) 4.88 10.51 -32 2 4 1 49 353.486 9 ↓

Analogs

39907723
39907723
39907729
39907729
39907732
39907732
39908107
39908107
39908112
39908112

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-chlorophenoxy)butyl]-2-isopropyl-benzimidazole 1-[4-(4-chlorophenoxy)butyl]-2-i…

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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) 5.54 1.01 -10.07 0 3 0 27 342.87 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(4-iodophenoxy)butyl]benzimidazole 1-[4-(4-iodophenoxy)butyl]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) 4.80 11.99 -10.09 0 3 0 27 392.24 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[3-(trifluoromethyl)phenoxy]butyl]benzimidazole 1-[4-[3-(trifluoromethyl)phenoxy…

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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) 4.59 11.9 -11.47 0 3 0 27 334.341 7 ↓

Analogs

39917931
39917931

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-(2-chlorophenoxy)butyl]benzimidazole 1-[4-(2-chlorophenoxy)butyl]benz…

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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) 4.35 11.45 -11.27 0 3 0 27 300.789 6 ↓

Parameters Provided:

ring.id = 7382
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 = 7382 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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