UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9042233
9042233
9042366
9042366
5606347
5606347

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Popular Name: 2-[6-chloro-4-oxo-2-(p-tolyl)chromen-3-yl]oxy-N-cyclohexyl-acetamide 2-[6-chloro-4-oxo-2-(p-tolyl)chr…

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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) 5.84 1.01 -15.94 1 5 0 68 425.912 5 ↓

Analogs

40167743
40167743
40167745
40167745
40167975
40167975
40167977
40167977
40168177
40168177

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Popular Name: 2-[2-(2-chlorophenyl)-4-keto-chromen-3-yl]oxy-N-cyclohexyl-acetamide 2-[2-(2-chlorophenyl)-4-keto-chr…

Find On: PubMed — Wikipedia — Google

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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 0.7 -15.99 1 5 0 68 411.885 5 ↓

Parameters Provided:

ring.id = 6000
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 = 6000 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6000&filter.purchasability=annotated

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