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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S,6R)-6-methyl-N-(2-morpholinoethyl)piperidine-2-carboxamide (2S,6R)-6-methyl-N-(2-morpholino…

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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) 0.31 0.57 -42.85 3 5 1 58 256.37 4 ↓
Hi High (pH 8-9.5) 0.31 -0.69 -9.07 2 5 0 54 255.362 4 ↓
Mid Mid (pH 6-8) 0.31 2.91 -95.85 4 5 2 59 257.378 4 ↓

Analogs

37824475
37824475
37824476
37824476

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Popular Name: (2S,6S)-6-methyl-N-(2-morpholinoethyl)piperidine-2-carboxamide (2S,6S)-6-methyl-N-(2-morpholino…

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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) 0.31 0.72 -38.91 3 5 1 58 256.37 4 ↓
Hi High (pH 8-9.5) 0.31 -0.54 -9.41 2 5 0 54 255.362 4 ↓
Mid Mid (pH 6-8) 0.31 3.07 -94.33 4 5 2 59 257.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-6-methyl-N-(2-morpholinoethyl)piperidine-2-carboxamide (2R,6R)-6-methyl-N-(2-morpholino…

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) 0.31 0.72 -38.99 3 5 1 58 256.37 4 ↓
Hi High (pH 8-9.5) 0.31 -0.5 -10.55 2 5 0 54 255.362 4 ↓
Mid Mid (pH 6-8) 0.31 3.07 -94.2 4 5 2 59 257.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-6-methyl-N-(2-morpholinoethyl)piperidine-2-carboxamide (2R,6S)-6-methyl-N-(2-morpholino…

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) 0.31 0.57 -42.86 3 5 1 58 256.37 4 ↓
Hi High (pH 8-9.5) 0.31 -0.68 -11.25 2 5 0 54 255.362 4 ↓
Mid Mid (pH 6-8) 0.31 2.91 -95.71 4 5 2 59 257.378 4 ↓

Analogs

37008650
37008650
37008649
37008649
37008652
37008652
37008651
37008651
19410787
19410787

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyanoethyl)-N-(2-morpholinoethyl)piperidine-2-carboxamide (2S)-N-(2-cyanoethyl)-N-(2-morph…

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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 3.33 -48.49 2 6 1 73 295.407 6 ↓
Hi High (pH 8-9.5) -0.32 2.1 -12.33 1 6 0 69 294.399 6 ↓
Mid Mid (pH 6-8) -0.32 5.6 -120.37 3 6 2 74 296.415 6 ↓

Analogs

37008650
37008650
37008649
37008649
37008652
37008652
37008651
37008651
19410787
19410787

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-cyanoethyl)-N-(2-morpholinoethyl)piperidine-2-carboxamide (2R)-N-(2-cyanoethyl)-N-(2-morph…

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) -0.32 3.49 -47.08 2 6 1 73 295.407 6 ↓
Hi High (pH 8-9.5) -0.32 2.23 -13.15 1 6 0 69 294.399 6 ↓
Mid Mid (pH 6-8) -0.32 5.76 -120.86 3 6 2 74 296.415 6 ↓

Parameters Provided:

ring.id = 48169
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 = 48169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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