UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36166642
36166642
36285679
36285679
36165817
36165817
36164476
36164476
36163902
36163902

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Popular Name: N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1H-pyrazole-4-carboxamide N-methyl-N-(2-oxo-2-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) -1.03 2.89 -16.84 1 6 0 69 236.275 3 ↓

Analogs

36164481
36164481
36200498
36200498
36166633
36166633
36164511
36164511
36163907
36163907

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Popular Name: N,3,5-trimethyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-(2-oxo-2-pyrro…

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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) -0.59 4.29 -16.74 1 6 0 69 264.329 3 ↓

Analogs

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Popular Name: 5-chloro-1,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)pyrazole-4-carboxamide 5-chloro-1,3-dimethyl-N-(2-oxo-2…

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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) 0.28 3.11 -10.97 1 6 0 67 284.747 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1H-pyrazole-4-carboxamide N,5-dimethyl-N-(2-oxo-2-pyrrolid…

Find On: PubMed — Wikipedia — Google

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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) -0.81 3.49 -15.47 1 6 0 69 250.302 3 ↓

Parameters Provided:

ring.id = 583315
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 = 583315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=583315&filter.purchasability=annotated

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