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Popular Name: 2-oxo-N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)-chromene-3-carbo 2-oxo-N-(4,4,6-trimethyl-5-oxo-2…

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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) 3.26 1.79 -29.74 1 7 0 89 392.411 2 ↓

Analogs

8958915
8958915
8959067
8959067

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Popular Name: N-(2-ethyl-4,4-dimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-2-oxo-chromene-3-c N-(2-ethyl-4,4-dimethyl-3-oxo-6-…

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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) 3.64 2.07 -29.84 1 7 0 89 406.438 3 ↓

Parameters Provided:

ring.id = 10835
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 = 10835 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=10835&filter.purchasability=annotated

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