UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12041175
12041175
11910864
11910864
11910865
11910865

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Popular Name: (2R)-6-(2,2-dimethylpropyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-azaspiro[2.5]octane-2-carboxamide (2R)-6-(2,2-dimethylpropyl)-N-(2…

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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) 4.06 -0.95 -45.66 2 4 1 46 372.558 4 ↓

Analogs

12041172
12041172
11910864
11910864
11910865
11910865

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-(2,2-dimethylpropyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-azaspiro[2.5]octane-2-carboxamide (2S)-6-(2,2-dimethylpropyl)-N-(2…

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) 4.06 -0.35 -40.27 2 4 1 46 372.558 4 ↓

Parameters Provided:

ring.id = 86390
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 = 86390 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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