UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(4-aminophenyl)sulfanylacetyl]-5-methyl-isoxazol-3-one 2-[2-(4-aminophenyl)sulfanylacet…

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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) 1.17 5.49 -18.34 2 5 0 78 264.306 3 ↓

Analogs

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Popular Name: 2-[2-(2-amino-4-methyl-phenyl)sulfanylacetyl]-5-methyl-isoxazol-3-one 2-[2-(2-amino-4-methyl-phenyl)su…

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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 6.24 -17.44 2 5 0 78 278.333 3 ↓

Analogs

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Popular Name: 2-[2-(4-amino-2-methyl-phenyl)sulfanylacetyl]-5-methyl-isoxazol-3-one 2-[2-(4-amino-2-methyl-phenyl)su…

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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) 1.55 6.06 -18.08 2 5 0 78 278.333 3 ↓

Analogs

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Popular Name: 2-[2-(4-amino-2-fluoro-phenyl)sulfanylacetyl]-5-methyl-isoxazol-3-one 2-[2-(4-amino-2-fluoro-phenyl)su…

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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) 1.26 5.54 -21.59 2 5 0 78 282.296 3 ↓

Analogs

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Popular Name: 2-[2-(2-amino-4-fluoro-phenyl)sulfanylacetyl]-5-methyl-isoxazol-3-one 2-[2-(2-amino-4-fluoro-phenyl)su…

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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) 1.67 5.64 -17.55 2 5 0 78 282.296 3 ↓

Analogs

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Popular Name: 2-[2-(2-amino-6-chloro-phenyl)sulfanylacetyl]-5-methyl-isoxazol-3-one 2-[2-(2-amino-6-chloro-phenyl)su…

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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) 2.16 6.14 -17.52 2 5 0 78 298.751 3 ↓

Analogs

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Popular Name: 2-[2-(4-amino-2-chloro-phenyl)sulfanylacetyl]-5-methyl-isoxazol-3-one 2-[2-(4-amino-2-chloro-phenyl)su…

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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) 1.78 5.95 -20.26 2 5 0 78 298.751 3 ↓

Analogs

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Popular Name: 2-[2-(2-amino-4-bromo-phenyl)sulfanylacetyl]-5-methyl-isoxazol-3-one 2-[2-(2-amino-4-bromo-phenyl)sul…

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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) 2.32 6.2 -17 2 5 0 78 343.202 3 ↓

Parameters Provided:

ring.id = 544063
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 = 544063 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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