UCSF
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Analogs

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Popular Name: (3R)-1,1-dioxo-N-(2-oxo-2-piperazin-1-yl-ethyl)thiolane-3-sulfonamide (3R)-1,1-dioxo-N-(2-oxo-2-pipera…

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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) -2.36 -4.89 -25.02 2 8 0 113 325.412 4 ↓
Mid Mid (pH 6-8) -2.36 -3.6 -68.8 3 8 1 117 326.42 4 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-(2-oxo-2-piperazin-1-yl-ethyl)thiolane-3-sulfonamide (3S)-1,1-dioxo-N-(2-oxo-2-pipera…

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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) -2.36 -5.24 -24.44 2 8 0 113 325.412 4 ↓
Mid Mid (pH 6-8) -2.36 -3.95 -67.39 3 8 1 117 326.42 4 ↓

Parameters Provided:

ring.id = 572371
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 = 572371 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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