UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-ethyl-3-tetrahydropyran-4-yl-isoxazole-4-carboxylic 5-ethyl-3-tetrahydropyran-4-yl-i…

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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) 1.31 5.05 -42.32 0 5 -1 75 224.236 3 ↓

Analogs

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Popular Name: 5-(bromomethyl)-3-tetrahydropyran-4-yl-isoxazole 5-(bromomethyl)-3-tetrahydropyra…

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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 4.41 -6.53 0 3 0 35 246.104 2 ↓

Analogs

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Popular Name: (3-tetrahydropyran-4-ylisoxazol-5-yl)methanamine (3-tetrahydropyran-4-ylisoxazol-…

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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) 0.44 1.08 -51.72 3 4 1 63 183.231 2 ↓
Hi High (pH 8-9.5) 0.44 0.67 -6.17 2 4 0 61 182.223 2 ↓

Analogs

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Popular Name: (3-tetrahydropyran-4-ylisoxazol-5-yl)methanol (3-tetrahydropyran-4-ylisoxazol-…

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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) 0.60 0.34 -8.92 1 4 0 55 183.207 2 ↓

Parameters Provided:

ring.id = 507454
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 = 507454 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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