UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-methyl-4-piperidyl)methanone 8-azaspiro[4.5]decan-8-yl-(4-met…

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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) 2.00 6.53 -40.77 2 3 1 37 265.421 1 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-ethyl-4-piperidyl)methanone 8-azaspiro[4.5]decan-8-yl-(4-eth…

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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) 2.34 7.08 -42.52 2 3 1 37 279.448 2 ↓

Analogs

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Popular Name: 8-azaspiro[4.5]decan-8-yl-(4-propyl-4-piperidyl)methanone 8-azaspiro[4.5]decan-8-yl-(4-pro…

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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) 2.90 7.84 -42.71 2 3 1 37 293.475 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-azaspiro[4.5]decan-8-yl(4-piperidyl)methanone 8-azaspiro[4.5]decan-8-yl(4-pipe…

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) 1.76 6.59 -46.59 2 3 1 37 251.394 1 ↓

Parameters Provided:

ring.id = 319661
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 = 319661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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