UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36164158
36164158
36170418
36170418
36170419
36170419
36164715
36164715
36165686
36165686

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Popular Name: 1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]methanone 1H-pyrazol-4-yl-[4-(pyrrolidin-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) 0.42 5.93 -43.71 2 5 1 53 263.365 3 ↓

Analogs

36170424
36170424
36170425
36170425
36164163
36164163
36164721
36164721
36165697
36165697

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Popular Name: (3,5-dimethyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]methanone (3,5-dimethyl-1H-pyrazol-4-yl)-[…

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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 7.33 -45.85 2 5 1 53 291.419 3 ↓

Parameters Provided:

ring.id = 583498
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 = 583498 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=583498&filter.purchasability=annotated

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