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Analogs

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Popular Name: 4-chloro-N-[4-[cyclopropyl(2-pyridylmethyl)amino]-4-oxo-butyl]benzamide 4-chloro-N-[4-[cyclopropyl(2-pyr…

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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) 2.29 9.2 -11.74 1 5 0 62 371.868 8 ↓
Lo Low (pH 4.5-6) 2.29 8.93 -36.48 2 5 1 64 372.876 8 ↓

Analogs

4092303
4092303

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Popular Name: N-[4-[cyclopropyl(2-pyridylmethyl)amino]-4-oxo-butyl]-2,4-difluoro-benzamide N-[4-[cyclopropyl(2-pyridylmethy…

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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) 1.87 8.83 -14.61 1 5 0 62 373.403 8 ↓
Lo Low (pH 4.5-6) 1.87 8.55 -40.06 2 5 1 64 374.411 8 ↓

Parameters Provided:

ring.id = 178698
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 = 178698 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=178698&filter.purchasability=annotated

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