UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(benzofuran-3-yl)-4-methyl-isoxazol-5-amine 3-(benzofuran-3-yl)-4-methyl-iso…

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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) 2.33 3.19 -11.32 2 4 0 65 214.224 1 ↓
Lo Low (pH 4.5-6) 2.33 3.13 -28.76 3 4 1 66 215.232 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(benzofuran-3-yl)isoxazol-5-amine 3-(benzofuran-3-yl)isoxazol-5-amine

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) 1.96 2.51 -12.16 2 4 0 65 200.197 1 ↓
Lo Low (pH 4.5-6) 1.96 2.44 -30.15 3 4 1 66 201.205 1 ↓

Parameters Provided:

ring.id = 495852
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 = 495852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=495852&filter.purchasability=annotated

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