UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-(8-methoxy-2-oxo-chromen-3-yl)thiazol-2-yl]-N,N-dimethyl-acetamide 2-[4-(8-methoxy-2-oxo-chromen-3-…

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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) 1.37 7.24 -20.87 0 6 0 73 344.392 4 ↓

Analogs

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Popular Name: 8-methoxy-3-[2-(2-methylallylamino)thiazol-4-yl]chromen-2-one 8-methoxy-3-[2-(2-methylallylami…

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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) 3.73 8.52 -13.06 1 5 0 64 328.393 5 ↓
Lo Low (pH 4.5-6) 3.73 8.88 -35.89 2 5 1 66 329.401 5 ↓

Parameters Provided:

ring.id = 180887
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 = 180887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=180887&filter.purchasability=annotated

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