UCSF
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Analogs

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Popular Name: (4R)-1-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)amino]-3,4-dihydroquinolin-2-one (4R)-1-methyl-4-[(1,3,5-trimethy…

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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) 1.03 5.94 -10.69 1 5 0 50 284.363 2 ↓
Lo Low (pH 4.5-6) 1.03 6.06 -33.08 2 5 1 51 285.371 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)amino]-3,4-dihydroquinolin-2-one (4S)-1-methyl-4-[(1,3,5-trimethy…

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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) 1.03 6.07 -10.52 1 5 0 50 284.363 2 ↓
Lo Low (pH 4.5-6) 1.03 6.2 -34.44 2 5 1 51 285.371 2 ↓

Parameters Provided:

ring.id = 550372
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 = 550372 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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