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

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[(3R)-1,1-dioxothian-3-yl]sulfamoyl]piperidine-3-carboxylic (3S)-1-[[(3R)-1,1-dioxothian-3-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) -0.71 0.02 -60.98 1 8 -1 124 339.415 4 ↓
Hi High (pH 8-9.5) -0.71 -0.39 -107.6 0 8 -2 126 338.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[(3R)-1,1-dioxothian-3-yl]sulfamoyl]piperidine-3-carboxylic (3R)-1-[[(3R)-1,1-dioxothian-3-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) -0.71 -0.03 -57.95 1 8 -1 124 339.415 4 ↓
Hi High (pH 8-9.5) -0.71 -0.35 -107.25 0 8 -2 126 338.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(3R)-1,1-dioxothian-3-yl]sulfamoyl]piperidine-2-carboxylic (2S)-1-[[(3R)-1,1-dioxothian-3-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) -2.05 0.87 -66.32 1 8 -1 124 339.415 4 ↓
Hi High (pH 8-9.5) -2.05 0.63 -133.05 0 8 -2 126 338.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]sulfamoyl]piperidine-2-carboxylic (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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) -2.05 0.71 -52.87 1 8 -1 124 339.415 4 ↓
Hi High (pH 8-9.5) -2.05 0.59 -123.46 0 8 -2 126 338.407 4 ↓

Parameters Provided:

ring.id = 289468
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 = 289468 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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