UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49176661
49176661
49176662
49176662

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Popular Name: 5-[(6R)-2,2,6-trimethylmorpholin-4-yl]sulfonyl-1H-pyridin-2-one 5-[(6R)-2,2,6-trimethylmorpholin…

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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) 0.86 1.02 -13.62 1 6 0 79 286.353 2 ↓
Hi High (pH 8-9.5) 1.32 -1.01 -44.79 0 6 -1 83 285.345 2 ↓

Analogs

49176661
49176661
49176662
49176662

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(6S)-2,2,6-trimethylmorpholin-4-yl]sulfonyl-1H-pyridin-2-one 5-[(6S)-2,2,6-trimethylmorpholin…

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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) 0.86 1.13 -13.5 1 6 0 79 286.353 2 ↓
Hi High (pH 8-9.5) 1.32 -0.92 -45.22 0 6 -1 83 285.345 2 ↓

Analogs

36829049
36829049
36829050
36829050
36829235
36829235
36829236
36829236

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Popular Name: 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one 5-(3,3-dimethylmorpholin-4-yl)su…

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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) 0.50 0.21 -12.84 1 6 0 79 272.326 2 ↓
Hi High (pH 8-9.5) 0.96 -1.91 -45.98 0 6 -1 83 271.318 2 ↓

Parameters Provided:

ring.id = 568943
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 = 568943 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=568943&filter.purchasability=annotated

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