UCSF
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Analogs

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Popular Name: 8-(3-hydroxypyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-(3-hydroxypyridine-2-carbonyl)…

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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) -0.60 0.47 -52.66 2 8 -1 114 289.271 1 ↓
Mid Mid (pH 6-8) -0.60 -1.52 -31.28 3 8 0 116 290.279 1 ↓
Mid Mid (pH 6-8) -0.60 -0.54 -14.41 3 8 0 112 290.279 1 ↓

Analogs

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Popular Name: 8-(3-methylpyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-(3-methylpyridine-2-carbonyl)-…

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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) 0.07 0.78 -13.87 2 7 0 91 288.307 1 ↓
Hi High (pH 8-9.5) 0.26 -1.86 -45.8 1 7 -1 98 287.299 1 ↓

Parameters Provided:

ring.id = 204074
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 = 204074 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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