UCSF
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Analogs

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Popular Name: 5-cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole 5-cyclopropyl-3-[[3-(4-methylpyr…

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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) 0.49 2.21 -11.33 0 6 0 60 259.313 4 ↓
Mid Mid (pH 6-8) 0.49 5.18 -46.2 1 6 1 61 260.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-cyclopropyl-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole 5-cyclopropyl-3-[[3-(3,5-dimethy…

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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) 0.55 3 -14.72 0 6 0 60 273.34 4 ↓
Mid Mid (pH 6-8) 0.55 5.98 -39.94 1 6 1 61 274.348 4 ↓

Parameters Provided:

ring.id = 429274
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 = 429274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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