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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide 1-(3,5-dimethylisoxazol-4-yl)sul…

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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) 0.81 -6.68 -23.13 1 9 0 127 469.585 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide 1-(3,5-dimethylisoxazol-4-yl)sul…

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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) 0.81 -6.73 -21.56 1 9 0 127 469.585 6 ↓

Analogs

14246839
14246839

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (3R)-1-(3,5-dimethylisoxazol-4-y…

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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) 1.39 4.77 -14.93 1 8 0 102 407.492 6 ↓

Analogs

14246838
14246838

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Popular Name: (3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (3S)-1-(3,5-dimethylisoxazol-4-y…

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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) 1.39 4.73 -15.31 1 8 0 102 407.492 6 ↓

Analogs

41209656
41209656
45840198
45840198
45840201
45840201
46816317
46816317
46816318
46816318

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Popular Name: (3S)-N-benzyl-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-methyl-piperidine-3-carboxamide (3S)-N-benzyl-1-(3,5-dimethyliso…

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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) 1.63 6.97 -14.36 0 7 0 84 391.493 5 ↓

Analogs

45840198
45840198
45840201
45840201
46816317
46816317
46816318
46816318
21938907
21938907

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-methyl-piperidine-3-carboxamide (3R)-N-benzyl-1-(3,5-dimethyliso…

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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) 1.63 6.91 -14.69 0 7 0 84 391.493 5 ↓

Parameters Provided:

ring.id = 10501
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 = 10501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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