UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[[(3Z)-3-hydroxyiminobenzofuran-6-yl]oxymethyl]pyridine-2-carbonitrile 3-[[(3Z)-3-hydroxyiminobenzofura…

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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) 1.95 3.23 -10.42 1 6 0 88 281.271 3 ↓

Analogs

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Popular Name: 6-(3-pyridylmethoxy)benzofuran-3-one 6-(3-pyridylmethoxy)benzofuran-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) 1.79 2.89 -9.32 1 5 0 64 256.261 3 ↓
Lo Low (pH 4.5-6) 1.79 3.36 -40.52 2 5 1 65 257.269 3 ↓

Parameters Provided:

ring.id = 275611
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 = 275611 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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