UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11998611
11998611

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Popular Name: N-[(2S)-2-(2-furyl)-2-(4-methyl-1-piperidyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2S)-2-(2-furyl)-2-(4-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) 2.08 -3.32 -54.77 2 8 1 101 446.549 6 ↓

Analogs

11998607
11998607

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Popular Name: N-[(2R)-2-(2-furyl)-2-(4-methyl-1-piperidyl)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide N-[(2R)-2-(2-furyl)-2-(4-methyl-…

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) 2.08 -3.29 -54.83 2 8 1 101 446.549 6 ↓

Parameters Provided:

ring.id = 69147
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 = 69147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=69147&filter.purchasability=annotated

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