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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-cyclopropyl-4-piperidyl)-2-(ethylamino)benzamide N-(1-cyclopropyl-4-piperidyl)-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) 2.10 7.56 -37.45 3 4 1 46 288.415 5 ↓

Analogs

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Popular Name: 4-amino-N-(1-cyclopropyl-4-piperidyl)-3-fluoro-benzamide 4-amino-N-(1-cyclopropyl-4-piper…

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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) 1.49 5.55 -38.03 4 4 1 60 278.351 3 ↓

Analogs

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Popular Name: N-(1-cyclopropyl-4-piperidyl)-3,4,5-trifluoro-benzamide N-(1-cyclopropyl-4-piperidyl)-3,…

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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) 2.26 7.75 -42.25 2 3 1 34 299.316 3 ↓

Analogs

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Popular Name: N-(1-cyclopropyl-4-piperidyl)-2-(methylamino)benzamide N-(1-cyclopropyl-4-piperidyl)-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) 1.73 6.74 -37.68 3 4 1 46 274.388 4 ↓

Parameters Provided:

ring.id = 201709
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 = 201709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=201709&filter.purchasability=annotated

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