UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13733512
13733512
21800031
21800031
21800040
21800040
21800045
21800045
21800049
21800049

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Popular Name: 2-(4-methoxyphenoxy)-N-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide 2-(4-methoxyphenoxy)-N-(2-methyl…

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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) 2.16 6.1 -26.63 1 7 0 69 366.421 5 ↓

Analogs

13733512
13733512
21800031
21800031
21800036
21800036
21800040
21800040
21800045
21800045

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)-2-phenoxy-acetamide N-(2-methyl-3,4-dihydro-1H-pyraz…

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) 2.10 6.8 -25.44 1 6 0 59 336.395 4 ↓

Parameters Provided:

ring.id = 225700
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 = 225700 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=225700&filter.purchasability=annotated

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