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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

24999004
24999004

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Popular Name: (2,6-dimethoxy-3-pyridyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (2,6-dimethoxy-3-pyridyl)-(1,4-d…

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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) 0.69 1.14 -12.05 0 7 0 70 308.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-pentylsulfanyl-3-pyridyl)methanone 1,4-dioxa-8-azaspiro[4.5]decan-8…

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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) 2.78 7.95 -11.84 0 5 0 52 350.484 6 ↓

Analogs

36393462
36393462

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Popular Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(2,2,2-trifluoroethoxy)-3-pyridyl]methanone 1,4-dioxa-8-azaspiro[4.5]decan-8…

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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) 1.22 3.74 -14.84 0 6 0 61 346.305 4 ↓

Analogs

24996909
24996909

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Popular Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethylsulfanyl-3-pyridyl)methanone 1,4-dioxa-8-azaspiro[4.5]decan-8…

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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) 1.21 5.6 -12.17 0 5 0 52 308.403 3 ↓

Analogs

42760906
42760906
24996909
24996909
33115228
33115228

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Popular Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-propylsulfanyl-3-pyridyl)methanone 1,4-dioxa-8-azaspiro[4.5]decan-8…

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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) 1.76 6.35 -9.17 0 5 0 52 322.43 4 ↓

Analogs

32924529
32924529

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-ethoxy-3-pyridyl)methanone 1,4-dioxa-8-azaspiro[4.5]decan-8…

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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) 0.72 2.96 -9.27 0 6 0 61 292.335 3 ↓

Analogs

24996909
24996909

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propylsulfanyl-3-pyridyl)methanone 1,4-dioxa-8-azaspiro[4.5]decan-8…

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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) 1.71 6.39 -11.98 0 5 0 52 322.43 4 ↓

Parameters Provided:

ring.id = 435418
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 = 435418 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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