UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12003504
12003504
39636919
39636919
39636920
39636920
39636939
39636939
39636940
39636940

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Popular Name: (5S)-2-benzoyl-9-[(2-fluoro-5-methoxy-phenyl)methyl]-2,9-diazaspiro[4.5]decan-10-one (5S)-2-benzoyl-9-[(2-fluoro-5-me…

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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) 2.41 0.75 -20.28 0 5 0 50 396.462 4 ↓

Analogs

39636919
39636919
39636920
39636920
39636939
39636939
39636940
39636940
39636949
39636949

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-benzoyl-9-[(2-fluoro-5-methoxy-phenyl)methyl]-2,9-diazaspiro[4.5]decan-10-one (5R)-2-benzoyl-9-[(2-fluoro-5-me…

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) 2.41 0.43 -19.52 0 5 0 50 396.462 4 ↓

Parameters Provided:

ring.id = 71632
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 = 71632 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=71632&filter.purchasability=annotated

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