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Analogs

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Popular Name: 2-amino-8-[2-[(3-fluorophenoxy)methyl]oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one 2-amino-8-[2-[(3-fluorophenoxy)m…

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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) 0.68 2.53 -20.78 3 9 0 123 387.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-[(3-fluorophenoxy)methyl]oxazole-4-carbonyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one 8-[2-[(3-fluorophenoxy)methyl]ox…

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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) 1.66 2.88 -22.89 1 8 0 97 386.383 4 ↓
Lo Low (pH 4.5-6) 1.66 4 -46.67 2 8 1 99 387.391 4 ↓

Parameters Provided:

ring.id = 558987
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 = 558987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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