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

Analogs

44823507
44823507
44823510
44823510
44823511
44823511
44839801
44839801
44839805
44839805

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide (3S)-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) -0.58 0.16 -59.09 3 5 1 80 261.367 2 ↓

Analogs

44823507
44823507
44823510
44823510
44823511
44823511
44839801
44839801
44839805
44839805

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1,1-dioxothian-4-yl)piperidine-3-carboxamide (3R)-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) -0.58 0.16 -60.2 3 5 1 80 261.367 2 ↓

Analogs

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Popular Name: (3S,6R)-N-(1,1-dioxothian-4-yl)-6-methyl-piperidine-3-carboxamide (3S,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) 0.10 0.85 -53.16 3 5 1 80 275.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N-(1,1-dioxothian-4-yl)-6-methyl-piperidine-3-carboxamide (3S,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) 0.10 0.86 -57.02 3 5 1 80 275.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N-(1,1-dioxothian-4-yl)-6-methyl-piperidine-3-carboxamide (3R,6R)-N-(1,1-dioxothian-4-yl)-…

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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) 0.10 0.86 -57.01 3 5 1 80 275.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N-(1,1-dioxothian-4-yl)-6-methyl-piperidine-3-carboxamide (3R,6S)-N-(1,1-dioxothian-4-yl)-…

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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) 0.10 0.85 -55.31 3 5 1 80 275.394 2 ↓

Analogs

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Popular Name: (3S)-N-(1,1-dioxothian-4-yl)-3-ethyl-piperidine-3-carboxamide (3S)-N-(1,1-dioxothian-4-yl)-3-e…

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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) 0.32 1.23 -46.29 3 5 1 80 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1,1-dioxothian-4-yl)-3-ethyl-piperidine-3-carboxamide (3R)-N-(1,1-dioxothian-4-yl)-3-e…

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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) 0.32 1.26 -45.78 3 5 1 80 289.421 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1,1-dioxothian-4-yl)-3-methyl-piperidine-3-carboxamide (3S)-N-(1,1-dioxothian-4-yl)-3-m…

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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) -0.01 0.82 -45.36 3 5 1 80 275.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1,1-dioxothian-4-yl)-3-methyl-piperidine-3-carboxamide (3R)-N-(1,1-dioxothian-4-yl)-3-m…

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) -0.01 0.83 -44.84 3 5 1 80 275.394 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(1,1-dioxothian-4-yl)-3-propyl-piperidine-3-carboxamide (3S)-N-(1,1-dioxothian-4-yl)-3-p…

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) 0.88 1.98 -46.78 3 5 1 80 303.448 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(1,1-dioxothian-4-yl)-3-propyl-piperidine-3-carboxamide (3R)-N-(1,1-dioxothian-4-yl)-3-p…

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) 0.88 2.02 -47.11 3 5 1 80 303.448 4 ↓

Parameters Provided:

ring.id = 89526
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 = 89526 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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