UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14228733
14228733
15201831
15201831
15201833
15201833
7974547
7974547
7974552
7974552

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Popular Name: (2S)-4-[(E)-3-(2-thienyl)prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-[(E)-3-(2-thienyl)prop-2-…

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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) 2.02 5.44 -15.69 2 5 0 73 314.366 3 ↓

Analogs

15201831
15201831
15201833
15201833
14228730
14228730
7974547
7974547

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Popular Name: (2R)-4-[(E)-3-(2-thienyl)prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-[(E)-3-(2-thienyl)prop-2-…

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) 2.02 5.45 -15.72 2 5 0 73 314.366 3 ↓

Parameters Provided:

ring.id = 233367
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 = 233367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=233367&filter.purchasability=annotated

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