UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9389930
9389930

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Popular Name: N-cyclopropyl-4-methoxy-2-(methoxymethyl)-N,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide N-cyclopropyl-4-methoxy-2-(metho…

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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) 1.96 3.42 -10.41 0 6 0 65 321.402 5 ↓

Analogs

44576437
44576437
36714525
36714525

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Popular Name: N-cyclopropyl-N,2,4,5-tetramethyl-thieno[2,3-d]pyrimidine-6-carboxamide N-cyclopropyl-N,2,4,5-tetramethy…

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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) 2.03 6.32 -9.27 0 4 0 46 275.377 2 ↓

Parameters Provided:

ring.id = 35972
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 = 35972 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=35972&filter.purchasability=annotated

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