UCSF
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Popular Name: 5-[[3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methyl]-N-ethyl-pyrimidin-2-a 5-[[3-(3,4-difluorophenyl)-6,7-d…

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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) 2.62 10.42 -55.68 2 6 1 68 372.399 5 ↓
Mid Mid (pH 6-8) 2.62 8.18 -13.38 1 6 0 67 371.391 5 ↓

Analogs

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Popular Name: 5-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-3-(3-methoxyphenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyrid 5-[[2-(methoxymethyl)pyrimidin-5…

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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) 1.49 4.99 -16.35 0 7 0 74 366.421 6 ↓
Mid Mid (pH 6-8) 1.49 7.23 -56.25 1 7 1 75 367.429 6 ↓

Parameters Provided:

ring.id = 526242
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 = 526242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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