UCSF
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Analogs

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Popular Name: 2-(dimethylamino)-1-[4-[(5S)-3-phenyl-4,5-dihydroisoxazole-5-carbonyl]piperazin-1-yl]ethanone 2-(dimethylamino)-1-[4-[(5S)-3-p…

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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) 0.52 8.29 -54.58 1 7 1 67 345.423 4 ↓
Hi High (pH 8-9.5) 0.52 5.9 -19.52 0 7 0 65 344.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dimethylamino)-1-[4-[(5R)-3-phenyl-4,5-dihydroisoxazole-5-carbonyl]piperazin-1-yl]ethanone 2-(dimethylamino)-1-[4-[(5R)-3-p…

Find On: PubMed — Wikipedia — Google

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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) 0.52 8.21 -55.79 1 7 1 67 345.423 4 ↓
Hi High (pH 8-9.5) 0.52 5.82 -20.51 0 7 0 65 344.415 4 ↓

Parameters Provided:

ring.id = 339469
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 = 339469 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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