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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34939142
34939142

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Popular Name: 2-(4-methyl-4-piperidyl)-6,7-dihydro-3H-[1,4]dioxino[2,3-f]benzimidazole 2-(4-methyl-4-piperidyl)-6,7-dih…

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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) 1.45 4.09 -50.31 3 5 1 64 274.344 1 ↓
Lo Low (pH 4.5-6) 1.45 4.45 -95.8 4 5 2 65 275.352 1 ↓

Analogs

34939142
34939142

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-ethyl-4-piperidyl)-6,7-dihydro-3H-[1,4]dioxino[2,3-f]benzimidazole 2-(4-ethyl-4-piperidyl)-6,7-dihy…

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) 1.77 4.33 -50.43 3 5 1 64 288.371 2 ↓
Lo Low (pH 4.5-6) 1.77 4.64 -96.65 4 5 2 65 289.379 2 ↓

Parameters Provided:

ring.id = 288066
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 = 288066 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=288066&filter.purchasability=annotated

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