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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: (2S)-N-(1,1-dioxothian-4-yl)piperidine-2-carboxamide (2S)-N-(1,1-dioxothian-4-yl)pipe…

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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) -0.11 0.43 -48.5 3 5 1 80 261.367 2 ↓
Hi High (pH 8-9.5) -0.11 -0.96 -14.53 2 5 0 75 260.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(1,1-dioxothian-4-yl)piperidine-2-carboxamide (2R)-N-(1,1-dioxothian-4-yl)pipe…

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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) -0.11 0.43 -48.37 3 5 1 80 261.367 2 ↓
Hi High (pH 8-9.5) -0.11 -0.9 -15.34 2 5 0 75 260.359 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-N-(1,1-dioxothian-4-yl)-6-methyl-piperidine-2-carboxamide (2R,6R)-N-(1,1-dioxothian-4-yl)-…

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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) 0.22 1.13 -46.76 3 5 1 80 275.394 2 ↓
Hi High (pH 8-9.5) 0.22 -0.15 -15.2 2 5 0 75 274.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-N-(1,1-dioxothian-4-yl)-6-methyl-piperidine-2-carboxamide (2R,6S)-N-(1,1-dioxothian-4-yl)-…

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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) 0.22 0.82 -48.97 3 5 1 80 275.394 2 ↓
Hi High (pH 8-9.5) 0.22 -0.37 -15.34 2 5 0 75 274.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-N-(1,1-dioxothian-4-yl)-6-methyl-piperidine-2-carboxamide (2S,6R)-N-(1,1-dioxothian-4-yl)-…

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) 0.22 0.84 -49.16 3 5 1 80 275.394 2 ↓
Hi High (pH 8-9.5) 0.22 -0.37 -14.29 2 5 0 75 274.386 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-N-(1,1-dioxothian-4-yl)-6-methyl-piperidine-2-carboxamide (2S,6S)-N-(1,1-dioxothian-4-yl)-…

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) 0.22 1.13 -46.83 3 5 1 80 275.394 2 ↓
Hi High (pH 8-9.5) 0.22 -0.2 -14.44 2 5 0 75 274.386 2 ↓

Parameters Provided:

ring.id = 89524
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 = 89524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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