UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11818587
11818587
39637079
39637079
39637080
39637080
39676848
39676848
39676849
39676849

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Popular Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(tetrahydropyran-4-ylmethyl)piperidine-3-carboxami (3S)-1-[(3-methoxyphenyl)methyl]…

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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) 1.98 7.67 -14.34 0 6 0 59 374.481 6 ↓

Analogs

39637079
39637079
39637080
39637080
39676848
39676848
39676849
39676849
39678600
39678600

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Popular Name: (3R)-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(tetrahydropyran-4-ylmethyl)piperidine-3-carboxami (3R)-1-[(3-methoxyphenyl)methyl]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.98 7.73 -13.11 0 6 0 59 374.481 6 ↓

Parameters Provided:

ring.id = 51543
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 = 51543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=51543&filter.purchasability=annotated

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