UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42675395
42675395
42675396
42675396
47348338
47348338
47348340
47348340

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Popular Name: 3-[2-(4-piperidyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione 3-[2-(4-piperidyl)ethyl]-1,3-dia…

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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) 1.81 5.18 -41.09 3 5 1 66 280.392 3 ↓

Analogs

42675395
42675395
42675396
42675396
42675397
42675397
42675398
42675398
47348336
47348336

Draw Identity 99% 90% 80% 70%

Popular Name: 8-methyl-3-[2-(4-piperidyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione 8-methyl-3-[2-(4-piperidyl)ethyl…

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) 1.58 5.44 -41.15 3 5 1 66 294.419 3 ↓

Parameters Provided:

ring.id = 566528
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 = 566528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=566528&filter.purchasability=annotated

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