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Analogs

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Popular Name: N-(4,4,6-trimethyl-5-oxo-2-oxa-6-azabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)furan-2-carboxamide N-(4,4,6-trimethyl-5-oxo-2-oxa-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) 2.51 0.66 -13.61 1 6 0 72 314.341 2 ↓

Analogs

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

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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) 3.45 -0.31 -9.44 1 6 0 72 393.237 2 ↓

Analogs

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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)furan-2-carboxamide 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) 2.89 0.95 -13.53 1 6 0 72 328.368 3 ↓

Analogs

8958923
8958923
8959074
8959074

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Popular Name: 5-bromo-N-(2-ethyl-4,4-dimethyl-3-oxo-6-oxa-2-azabicyclo[5.4.0]undeca-8,10,12-trien-9-yl)-furan-2-ca 5-bromo-N-(2-ethyl-4,4-dimethyl-…

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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) 3.82 -0.02 -9.33 1 6 0 72 407.264 3 ↓

Parameters Provided:

ring.id = 10832
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 = 10832 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=10832&filter.purchasability=annotated

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