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Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-(1,1-dioxothian-4-yl)acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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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) -0.86 -0.62 -22.62 3 7 0 107 300.384 3 ↓

Analogs

37786868
37786868
37789545
37789545
37789546
37789546

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothian-4-yl)acetamide 2-(4-aminopyrazol-1-yl)-N-(1,1-d…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -1.31 -1.72 -22.21 3 7 0 107 272.33 3 ↓

Parameters Provided:

ring.id = 88726
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 = 88726 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=88726&filter.purchasability=annotated

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