UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39263932
39263932
22508696
22508696
13012210
13012210
22508701
22508701
32906408
32906408

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Popular Name: [4-(1-piperidyl)-1-piperidyl]-[2-(p-tolylsulfanyl)-3-pyridyl]methanone [4-(1-piperidyl)-1-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) 3.86 12.45 -45.74 1 4 1 38 396.58 4 ↓

Analogs

39264544
39264544
39264545
39264545
39563878
39563878
39638135
39638135
39638136
39638136

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Popular Name: (2-phenylsulfanyl-3-pyridyl)-[4-(1-piperidyl)-1-piperidyl]methanone (2-phenylsulfanyl-3-pyridyl)-[4-…

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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) 3.42 11.77 -45.84 1 4 1 38 382.553 4 ↓

Parameters Provided:

ring.id = 602879
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 = 602879 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=602879&filter.purchasability=annotated

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