UCSF
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Popular Name: (1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)-[4-(o-tolylmethyl)piperazin-1-yl]m (1-methyl-5,5-dioxo-6,7-dihydro-…

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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) 1.33 5.36 -20.64 0 7 0 76 402.52 3 ↓
Mid Mid (pH 6-8) 1.33 7.22 -53.44 1 7 1 77 403.528 3 ↓

Analogs

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Popular Name: (4-benzylpiperazin-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone (4-benzylpiperazin-1-yl)-(1-meth…

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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) 0.93 4.34 -20.85 0 7 0 76 388.493 3 ↓
Mid Mid (pH 6-8) 0.93 6.6 -53.96 1 7 1 77 389.501 3 ↓

Parameters Provided:

ring.id = 519795
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 = 519795 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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