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

Analogs

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Popular Name: 2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]benzoic 2-[2-(1,4-dioxa-8-azaspiro[4.5]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) 2.25 -0.56 -61.06 1 6 0 72 307.346 5 ↓

Analogs

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Popular Name: 8-[2-(2-nitrophenoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane 8-[2-(2-nitrophenoxy)ethyl]-1,4-…

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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) 2.21 8.36 -43.38 1 7 1 78 309.342 5 ↓
Mid Mid (pH 6-8) 2.21 6.1 -13.91 0 7 0 77 308.334 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethoxy]benzonitrile 3-[2-(1,4-dioxa-8-azaspiro[4.5]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) 2.03 7.3 -43.02 1 5 1 56 289.355 4 ↓
Mid Mid (pH 6-8) 2.03 5.02 -8.91 0 5 0 55 288.347 4 ↓

Parameters Provided:

ring.id = 41995
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 = 41995 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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