UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35478661
35478661
35478662
35478662
35478672
35478672
35478674
35478674
35478679
35478679

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Popular Name: N-isopentyl-3-phenyl-isoxazolo[4,5-d]pyrimidin-7-amine N-isopentyl-3-phenyl-isoxazolo[4…

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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) 3.43 8.35 -6.85 1 5 0 64 282.347 5 ↓

Analogs

35475881
35475881
35478690
35478690
35478694
35478694
35478699
35478699
35478701
35478701

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Popular Name: 5-ethyl-N-methyl-3-phenyl-isoxazolo[4,5-d]pyrimidin-7-amine 5-ethyl-N-methyl-3-phenyl-isoxaz…

Find On: PubMed — Wikipedia — Google

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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) 2.44 6.05 -7.78 1 5 0 64 254.293 3 ↓

Parameters Provided:

ring.id = 391750
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 = 391750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=391750&filter.purchasability=annotated

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