UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39688626
39688626
39688627
39688627
39688628
39688628

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Popular Name: 1-(4-fluorophenyl)-N-[[1-(2-methylsulfanylpyridine-3-carbonyl)-4-piperidyl]methyl]cyclopropanecarbox 1-(4-fluorophenyl)-N-[[1-(2-meth…

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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) 2.64 9.79 -20.14 1 5 0 62 427.545 6 ↓

Analogs

39307400
39307400
39636339
39636339
39636340
39636340
39686614
39686614
39686615
39686615

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Popular Name: 1-(2-methoxyphenyl)-N-[[1-(2-methylsulfanylpyridine-3-carbonyl)-4-piperidyl]methyl]cyclopropanecarbo 1-(2-methoxyphenyl)-N-[[1-(2-met…

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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) 2.49 9.26 -20.5 1 6 0 72 439.581 7 ↓

Parameters Provided:

ring.id = 577483
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 = 577483 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=577483&filter.purchasability=annotated

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