UCSF
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Popular Name: 2-(5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(8-methyl-5-quinolyl)acetamide 2-(5-methyl-7-oxo-4H-pyrazolo[1,…

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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) 2.03 6.74 -31.74 2 7 0 92 347.378 3 ↓
Hi High (pH 8-9.5) 2.49 5.45 -56.16 1 7 -1 95 346.37 3 ↓
Lo Low (pH 4.5-6) 2.03 7.1 -58.36 3 7 1 93 348.386 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methyl-7-oxo-4H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(5-quinolyl)acetamide 2-(5-methyl-7-oxo-4H-pyrazolo[1,…

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) 1.63 5.97 -31.35 2 7 0 92 333.351 3 ↓

Parameters Provided:

ring.id = 337150
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 = 337150 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=337150&filter.purchasability=annotated

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