UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41688388
41688388
42182152
42182152
42182153
42182153
42182154
42182154

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Popular Name: 3-methyl-2-[(2R)-2-methylmorpholine-4-carbonyl]-6,7-dihydro-5H-benzofuran-4-one 3-methyl-2-[(2R)-2-methylmorphol…

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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) 1.49 5.59 -13.97 0 5 0 60 277.32 1 ↓

Analogs

42182152
42182152
42182153
42182153
42182154
42182154
41688386
41688386

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-2-[(2S)-2-methylmorpholine-4-carbonyl]-6,7-dihydro-5H-benzofuran-4-one 3-methyl-2-[(2S)-2-methylmorphol…

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) 1.49 5.61 -14.07 0 5 0 60 277.32 1 ↓

Parameters Provided:

ring.id = 569661
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 = 569661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=569661&filter.purchasability=annotated

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