UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33583355
33583355

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Popular Name: N-(4-(2-(2-methyl-3-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)ethoxy)phenyl)acetamide N-(4-(2-(2-methyl-3-((2,4,6-trio…

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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) 2.09 4.13 -57.92 2 9 -1 129 445.455 6 ↓
Lo Low (pH 4.5-6) 1.63 5.91 -21.23 3 9 0 126 446.463 6 ↓
Lo Low (pH 4.5-6) 2.09 4.13 -58.26 2 9 -1 129 445.455 6 ↓

Analogs

33583355
33583355

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-(2-(2,5-dimethyl-3-((2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)ethoxy)phenyl)acetamide N-(4-(2-(2,5-dimethyl-3-((2,4,6-…

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) 2.52 4.73 -58.63 2 9 -1 129 459.482 6 ↓
Lo Low (pH 4.5-6) 2.06 6.51 -21.37 3 9 0 126 460.49 6 ↓
Lo Low (pH 4.5-6) 2.52 4.73 -58.84 2 9 -1 129 459.482 6 ↓

Parameters Provided:

ring.id = 67194
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 = 67194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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