UCSF
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Popular Name: 3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methyl]-1,3,4-thiadiazole-2-thione 3-[[4-(3-methyl-1,2,4-oxadiazol-…

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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) 0.48 5.42 -48.08 1 6 1 61 298.417 3 ↓
Mid Mid (pH 6-8) 0.48 3.04 -14.49 0 6 0 60 297.409 3 ↓

Analogs

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Popular Name: 5-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]methyl]-1,3,4-thiadiazole-2-thione 5-methyl-3-[[4-(3-methyl-1,2,4-o…

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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) 0.20 6.14 -45.85 1 6 1 61 312.444 3 ↓
Mid Mid (pH 6-8) 0.20 3.77 -13.33 0 6 0 60 311.436 3 ↓

Parameters Provided:

ring.id = 298172
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 = 298172 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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