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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37813943
37813943
35773286
35773286

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Popular Name: N-cyclopentyl-N-methyl-2-oxo-2-piperazin-1-yl-acetamide N-cyclopentyl-N-methyl-2-oxo-2-p…

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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) -0.29 3.35 -54.94 2 5 1 57 240.327 2 ↓
Mid Mid (pH 6-8) -0.29 2.06 -9.44 1 5 0 53 239.319 2 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-cyclopentyl-2-oxo-2-piperazin-1-yl-acetamide N-(2-amino-2-oxo-ethyl)-N-cyclop…

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) -1.56 0.76 -68.61 4 7 1 100 283.352 4 ↓
Mid Mid (pH 6-8) -1.56 -0.56 -19.55 3 7 0 96 282.344 4 ↓

Parameters Provided:

ring.id = 144819
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 = 144819 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=144819&filter.purchasability=annotated

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