UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39703475
39703475
39703476
39703476
39703478
39703478
39703482
39703482
39703515
39703515

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Popular Name: N-isopentyl-2-oxo-2-[4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-acetamide N-isopentyl-2-oxo-2-[4-(p-tolyls…

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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) 2.10 4.29 -12.29 1 8 0 96 437.562 6 ↓

Analogs

9708543
9708543
39703475
39703475
39703476
39703476
39703478
39703478
39703482
39703482

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Popular Name: N-methyl-2-oxo-2-[4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-acetamide N-methyl-2-oxo-2-[4-(p-tolylsulf…

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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) 0.45 1.41 -13.21 1 8 0 96 381.454 3 ↓

Analogs

39703475
39703475
39703476
39703476
39703478
39703478
39703481
39703481
39703482
39703482

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-2-oxo-2-[4-(p-tolylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]dec-8-yl]-acetamide N-ethyl-2-oxo-2-[4-(p-tolylsulfo…

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) 0.83 2.24 -12.76 1 8 0 96 395.481 4 ↓

Parameters Provided:

ring.id = 8159
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 = 8159 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=8159&filter.purchasability=annotated

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