UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-(3-thienyl)benzimidazol-1-yl]propanoic 3-[2-(3-thienyl)benzimidazol-1-y…

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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) 2.72 8.75 -46.58 0 4 -1 58 271.321 4 ↓
Mid Mid (pH 6-8) 2.72 9.28 -39.44 1 4 0 59 272.329 4 ↓

Analogs

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Popular Name: 1-methyl-2-(3-thienyl)benzimidazole-5-carboxylic 1-methyl-2-(3-thienyl)benzimidaz…

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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) 3.09 7.83 -58.91 0 4 -1 58 257.294 2 ↓
Mid Mid (pH 6-8) 3.09 8.29 -48.5 1 4 0 59 258.302 2 ↓

Analogs

39271785
39271785

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Popular Name: ethyl ethyl

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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) 3.71 7.55 -11.9 3 5 0 81 333.438 5 ↓

Analogs

39271784
39271784

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Popular Name: ethyl ethyl

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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) 3.78 8.02 -12.24 2 5 0 70 347.465 5 ↓
Mid Mid (pH 6-8) 3.78 8.41 -25.78 3 5 1 71 348.473 5 ↓

Parameters Provided:

ring.id = 124031
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 = 124031 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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