UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-4-piperidyl)methyl]isoxazole-4-carboxamide 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) 2.87 9.16 -46.13 2 5 1 60 348.854 4 ↓

Analogs

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

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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) 3.54 10.14 -44.45 2 5 1 60 376.908 5 ↓

Analogs

39637999
39637999
39638000
39638000
39638001
39638001
39638002
39638002
39638035
39638035

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Popular Name: 3-(2-chlorophenyl)-N-[[1-(2-methoxyethyl)-4-piperidyl]methyl]-5-methyl-isoxazole-4-carboxamide 3-(2-chlorophenyl)-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) 2.86 9.01 -46.47 2 6 1 69 392.907 7 ↓
Hi High (pH 8-9.5) 2.86 6.66 -10.95 1 6 0 68 391.899 7 ↓

Parameters Provided:

ring.id = 131975
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 = 131975 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=131975&filter.purchasability=annotated

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