UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 3-(2-chlorophenyl)-5-methyl-N-[[1-[(2-methylsulfanylphenyl)methyl]-4-piperidyl]methyl]isoxazole-4-ca 3-(2-chlorophenyl)-5-methyl-N-[[…

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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) 4.66 13.27 -47.75 2 5 1 60 471.046 7 ↓

Analogs

39635531
39635531
39635532
39635532
39636547
39636547
39636548
39636548
39639301
39639301

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Popular Name: N-[(1-benzyl-4-piperidyl)methyl]-3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxamide N-[(1-benzyl-4-piperidyl)methyl]…

Find On: PubMed — Wikipedia — Google

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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) 4.27 12.28 -51.96 2 5 1 60 424.952 6 ↓

Parameters Provided:

ring.id = 577403
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 = 577403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=577403&filter.purchasability=annotated

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