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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)sulfonyl-4-methyl-piperidine-4-carboxylic 1-(1,1-dioxothian-4-yl)sulfonyl-…

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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) -0.23 1.61 -65.84 0 7 -1 112 338.427 3 ↓

Analogs

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Popular Name: (3S)-1-(1,1-dioxothian-4-yl)sulfonyl-3-methyl-piperidine-3-carboxylic (3S)-1-(1,1-dioxothian-4-yl)sulf…

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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) -0.23 1.94 -57.42 0 7 -1 112 338.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,1-dioxothian-4-yl)sulfonyl-3-methyl-piperidine-3-carboxylic (3R)-1-(1,1-dioxothian-4-yl)sulf…

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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) -0.23 1.97 -59.96 0 7 -1 112 338.427 3 ↓

Analogs

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Popular Name: 2-[1-(1,1-dioxothian-4-yl)sulfonyl-4-piperidyl]ethanamine 2-[1-(1,1-dioxothian-4-yl)sulfon…

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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) -0.46 -0.56 -64.07 3 6 1 99 325.476 4 ↓

Analogs

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Popular Name: 2-[1-(1,1-dioxothian-4-yl)sulfonyl-4-piperidyl]-N-methyl-ethanamine 2-[1-(1,1-dioxothian-4-yl)sulfon…

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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) 0.52 1.36 -59.63 2 6 1 88 339.503 5 ↓

Analogs

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Popular Name: 2-[(2S)-1-(1,1-dioxothian-4-yl)sulfonyl-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(1,1-dioxothian-4-yl)s…

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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) 0.46 1.45 -64.07 2 6 1 88 339.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-(1,1-dioxothian-4-yl)sulfonyl-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-(1,1-dioxothian-4-yl)s…

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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) 0.46 1.13 -57.32 2 6 1 88 339.503 5 ↓

Parameters Provided:

ring.id = 288436
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 = 288436 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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