UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2-chloro-3-pyridinyl)-1-(4-methoxybenzyl)-5,6-dimethyl-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-(4-me…

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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) 5.80 0.77 -15.23 0 4 0 39 377.875 4 ↓

Analogs

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Popular Name: 2-(6-chloro-3-pyridinyl)-1-(4-methoxybenzyl)-1H-1,3-benzimidazole 2-(6-chloro-3-pyridinyl)-1-(4-me…

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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 0.01 -12.09 0 4 0 39 349.821 4 ↓

Analogs

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Popular Name: 2-(6-chloro-3-pyridinyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,3-benzimidazole 2-(6-chloro-3-pyridinyl)-1-[3-(t…

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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) 6.03 2.1 -10.83 0 3 0 30 387.792 4 ↓

Analogs

31943487
31943487
31943488
31943488

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Popular Name: 1-benzyl-2-(6-chloro-3-pyridinyl)-5,6-dimethyl-1H-1,3-benzimidazole 1-benzyl-2-(6-chloro-3-pyridinyl…

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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) 5.96 0.61 -10.54 0 3 0 30 347.849 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(6-chloro-3-pyridinyl)-1-(4-methoxybenzyl)-5,6-dimethyl-1H-1,3-benzimidazole 2-(6-chloro-3-pyridinyl)-1-(4-me…

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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) 6.01 0.62 -12.04 0 4 0 39 377.875 4 ↓

Analogs

31943487
31943487
31943488
31943488

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Popular Name: 2-(6-chloro-3-pyridinyl)-5,6-dimethyl-1-(4-methylbenzyl)-1H-1,3-benzimidazole 2-(6-chloro-3-pyridinyl)-5,6-dim…

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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) 6.41 0.93 -10.54 0 3 0 30 361.876 3 ↓

Analogs

31936511
31936511
31936512
31936512
39907943
39907943

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Popular Name: 1-benzyl-2-(2-chloro-3-pyridinyl)-1H-1,3-benzimidazole 1-benzyl-2-(2-chloro-3-pyridinyl…

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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) 4.94 10.87 -13.84 0 3 0 31 319.795 3 ↓
Lo Low (pH 4.5-6) 4.94 11.32 -28.15 1 3 1 32 320.803 3 ↓

Analogs

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Popular Name: 2-(2-chloro-3-pyridinyl)-1-(3-methoxybenzyl)-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-(3-me…

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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) 4.97 0.15 -15.84 0 4 0 39 349.821 4 ↓

Analogs

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Popular Name: 2-(2-chloro-3-pyridinyl)-1-(2-fluorobenzyl)-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-(2-fl…

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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) 5.05 0.73 -13.8 0 3 0 30 337.785 3 ↓

Analogs

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Popular Name: 2-(2-chloro-3-pyridinyl)-1-(3-fluorobenzyl)-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-(3-fl…

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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) 5.08 0.88 -14.01 0 3 0 30 337.785 3 ↓

Analogs

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Popular Name: 2-(2-chloro-3-pyridinyl)-1-(4-fluorobenzyl)-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-(4-fl…

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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) 5.10 0.88 -15.14 0 3 0 30 337.785 3 ↓

Analogs

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Popular Name: 1-(2-chloro-6-fluorobenzyl)-2-(2-chloro-3-pyridinyl)-1H-1,3-benzimidazole 1-(2-chloro-6-fluorobenzyl)-2-(2…

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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) 5.68 0.28 -12.31 0 3 0 30 372.23 3 ↓

Analogs

39907941
39907941

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Popular Name: 1-(2-chlorobenzyl)-2-(2-chloro-3-pyridinyl)-1H-1,3-benzimidazole 1-(2-chlorobenzyl)-2-(2-chloro-3…

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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) 5.57 -0.03 -12.81 0 3 0 30 354.24 3 ↓

Analogs

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Popular Name: 1-(3-chlorobenzyl)-2-(2-chloro-3-pyridinyl)-1H-1,3-benzimidazole 1-(3-chlorobenzyl)-2-(2-chloro-3…

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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) 5.59 -0.01 -13.43 0 3 0 30 354.24 3 ↓

Analogs

31936511
31936511

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Popular Name: 1-(4-chlorobenzyl)-2-(2-chloro-3-pyridinyl)-1H-1,3-benzimidazole 1-(4-chlorobenzyl)-2-(2-chloro-3…

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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) 5.62 11.44 -14.48 0 3 0 31 354.24 3 ↓
Lo Low (pH 4.5-6) 5.62 11.86 -31.42 1 3 1 32 355.248 3 ↓

Analogs

31936511
31936511

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Popular Name: 2-(2-chloro-3-pyridinyl)-1-(3-methylbenzyl)-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-(3-me…

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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) 5.36 0.46 -13.75 0 3 0 30 333.822 3 ↓

Analogs

31936512
31936512

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Popular Name: 2-(2-chloro-3-pyridinyl)-1-(4-methylbenzyl)-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-(4-me…

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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) 5.39 0.46 -13.8 0 3 0 30 333.822 3 ↓

Analogs

31936509
31936509

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Popular Name: 2-(2-chloro-3-pyridinyl)-1-(2-methylbenzyl)-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-(2-me…

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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) 5.34 0.27 -13.76 0 3 0 30 333.822 3 ↓

Analogs

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Popular Name: 2-(2-chloro-3-pyridinyl)-1-[3-(trifluoromethyl)benzyl]-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-[3-(t…

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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) 5.81 2.3 -13.96 0 3 0 30 387.792 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-3-pyridinyl)-1-[4-(trifluoromethyl)benzyl]-1H-1,3-benzimidazole 2-(2-chloro-3-pyridinyl)-1-[4-(t…

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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) 5.83 2.3 -15.35 0 3 0 30 387.792 4 ↓

Parameters Provided:

ring.id = 226874
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 = 226874 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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