UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48131038
48131038
48544085
48544085
48800849
48800849
49085701
49085701
49095881
49095881

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Popular Name: 1-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)cyclopentanecarboxamide 1-amino-N-methyl-N-(2-oxo-2-pyrr…

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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) 0.30 3.55 -55.81 3 5 1 68 254.354 3 ↓
Mid Mid (pH 6-8) 0.30 3.4 -14.24 2 5 0 67 253.346 3 ↓

Analogs

44824618
44824618
44824621
44824621
44824622
44824622

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Popular Name: 1-cyano-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)cyclopentanecarboxamide 1-cyano-N-(2-oxo-2-pyrrolidin-1-…

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) 0.77 4.17 -9.79 1 5 0 73 249.314 3 ↓

Parameters Provided:

ring.id = 508399
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 = 508399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=508399&filter.purchasability=annotated

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