UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12217560
12217560

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Popular Name: 1-(2-chloroprop-2-enyl)-3-[[[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-7-methylsulfanyl-quinolin-2-on 1-(2-chloroprop-2-enyl)-3-[[[(3R…

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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) 2.07 -4.81 -60.59 2 5 1 73 413.972 6 ↓

Analogs

12217559
12217559

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Popular Name: 1-(2-chloroprop-2-enyl)-3-[[[(3S)-1,1-dioxothiolan-3-yl]amino]methyl]-7-methylsulfanyl-quinolin-2-on 1-(2-chloroprop-2-enyl)-3-[[[(3S…

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) 2.07 -4.79 -62.91 2 5 1 73 413.972 6 ↓

Parameters Provided:

ring.id = 91524
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 = 91524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=91524&filter.purchasability=annotated

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