UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl-[(2-fluorophenyl)methyl]-oxo-BLAHone 1,4-dioxa-8-azaspiro[4.5]decane-…

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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) 3.35 10.28 -31.68 0 7 0 76 520.582 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl-[(2-fluorophenyl)methyl]-oxo-BLAHone 1,4-dioxa-8-azaspiro[4.5]decane-…

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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) 3.35 10.59 -34.29 0 7 0 76 520.582 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-oxo-BLAHone benzyl-(1,4-dioxa-8-azaspiro[4.5…

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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) 3.24 10.45 -32.52 0 7 0 76 502.592 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-oxo-BLAHone benzyl-(1,4-dioxa-8-azaspiro[4.5…

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) 3.24 10.5 -32.8 0 7 0 76 502.592 3 ↓

Parameters Provided:

ring.id = 70153
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 = 70153 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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