UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(6-Chloro-5-fluoro-1H-benzimidazol-2-yl)pyrazine 2-(6-Chloro-5-fluoro-1H-benzimid…

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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) 2.46 3.93 -7.44 1 4 0 54 248.648 1 ↓

Analogs

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Popular Name: 2-[2-(5-methylpyrazin-2-yl)benzimidazol-1-yl]acetic 2-[2-(5-methylpyrazin-2-yl)benzi…

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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) 1.25 7.19 -53.73 0 6 -1 84 267.268 3 ↓
Lo Low (pH 4.5-6) 1.25 7.45 -40.57 1 6 0 85 268.276 3 ↓

Analogs

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Popular Name: 2-pyrazin-2-yl-1H-benzimidazole-5-carboxylic 2-pyrazin-2-yl-1H-benzimidazole-…

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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) 1.60 3.89 -49.84 1 6 -1 95 239.214 2 ↓
Lo Low (pH 4.5-6) 1.60 4.32 -52.27 2 6 0 96 240.222 2 ↓

Analogs

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Popular Name: 1-methyl-2-pyrazin-2-yl-benzimidazole-5-carboxylic 1-methyl-2-pyrazin-2-yl-benzimid…

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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) 1.67 6.04 -55.93 0 6 -1 84 253.241 2 ↓
Lo Low (pH 4.5-6) 1.67 6.24 -48.68 1 6 0 85 254.249 2 ↓

Analogs

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Popular Name: 1-methyl-2-(5-methylpyrazin-2-yl)benzimidazole-5-carboxylic 1-methyl-2-(5-methylpyrazin-2-yl…

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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) 1.89 6.66 -55.56 0 6 -1 84 267.268 2 ↓
Lo Low (pH 4.5-6) 1.89 6.85 -47.8 1 6 0 85 268.276 2 ↓

Parameters Provided:

ring.id = 75809
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 = 75809 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=75809&filter.purchasability=annotated

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