UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2790228
2790228

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Popular Name: 4-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazine-1-carboxylic-acid-ethyl-ester 4-(6-bromopyrazolo[1,5-a]pyrimid…

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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) 1.55 -1.03 -11.57 0 8 0 80 382.218 3 ↓

Analogs

4653264
4653264
20028601
20028601
20028637
20028637
20028650
20028650
2789525
2789525

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Popular Name: 4-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)piperazine-1-carboxylic-acid-ethyl-ester 4-(3-chloropyrazolo[1,5-a]pyrimi…

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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) 1.20 -0.4 -18.37 0 8 0 80 337.767 3 ↓

Parameters Provided:

ring.id = 236611
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 = 236611 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=236611&filter.purchasability=annotated

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