UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(2,5-dimethyl-3-furyl)-1-methyl-benzimidazole-5-carboxylic 2-(2,5-dimethyl-3-furyl)-1-methy…

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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) 2.89 8.67 -55.48 0 5 -1 71 269.28 2 ↓
Mid Mid (pH 6-8) 2.89 9.15 -46.86 1 5 0 72 270.288 2 ↓

Analogs

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Popular Name: 2-(3-furyl)-1-methyl-benzimidazole-5-carboxylic 2-(3-furyl)-1-methyl-benzimidazo…

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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) 2.45 6.97 -56.89 0 5 -1 71 241.226 2 ↓
Mid Mid (pH 6-8) 2.45 7.45 -50.46 1 5 0 72 242.234 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-2-(2-methyl-3-furyl)benzimidazole-5-carboxylic 1-methyl-2-(2-methyl-3-furyl)ben…

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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) 2.67 7.89 -55.93 0 5 -1 71 255.253 2 ↓
Mid Mid (pH 6-8) 2.67 8.37 -47.66 1 5 0 72 256.261 2 ↓

Parameters Provided:

ring.id = 47868
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 = 47868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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