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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamid 2-[4-(2,2-difluoroethyl)piperazi…

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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) 0.50 1.99 -17.52 2 8 0 85 387.431 5 ↓
Hi High (pH 8-9.5) 0.68 0.8 -57.72 1 8 -1 91 386.423 5 ↓
Lo Low (pH 4.5-6) 0.50 4.14 -44.34 3 8 1 86 388.439 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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) 0.72 1.39 -17.7 2 8 0 85 373.404 5 ↓
Hi High (pH 8-9.5) 0.91 0.2 -58.32 1 8 -1 91 372.396 5 ↓
Lo Low (pH 4.5-6) 0.72 3.53 -44.43 3 8 1 86 374.412 5 ↓

Parameters Provided:

ring.id = 173777
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 = 173777 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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