UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[3-[[3-(BLAHcarbonyl)isoxazol-5-yl]methoxy]phenyl]ethanone 1-[3-[[3-(BLAHcarbonyl)isoxazol-…

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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) 4.26 10.14 -15.23 0 6 0 73 394.471 5 ↓

Analogs

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Popular Name: [5-[(2-chloro-4-fluoro-phenoxy)methyl]isoxazol-3-yl]-BLAHyl-methanone [5-[(2-chloro-4-fluoro-phenoxy)m…

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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) 5.16 10.36 -9.88 0 5 0 56 404.869 4 ↓

Analogs

12439563
12439563

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Popular Name: [5-[(2,4-difluorophenoxy)methyl]isoxazol-3-yl]-BLAHyl-methanone [5-[(2,4-difluorophenoxy)methyl]…

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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) 4.65 10.38 -11.59 0 5 0 56 388.414 4 ↓

Analogs

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Popular Name: [5-[(3,4-dimethylphenoxy)methyl]isoxazol-3-yl]-BLAHyl-methanone [5-[(3,4-dimethylphenoxy)methyl]…

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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) 5.22 10.95 -8.18 0 5 0 56 380.488 4 ↓

Analogs

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Popular Name: 1-[4-[[3-(BLAHcarbonyl)isoxazol-5-yl]methoxy]-3-methoxy-phenyl]ethanone 1-[4-[[3-(BLAHcarbonyl)isoxazol-…

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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) 3.88 10.12 -16.45 0 7 0 82 424.497 6 ↓

Analogs

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Popular Name: [5-[(3-methoxyphenoxy)methyl]isoxazol-3-yl]-BLAHyl-methanone [5-[(3-methoxyphenoxy)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) 4.42 9.02 -10.28 0 6 0 65 382.46 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3,4-difluorophenoxy)methyl]isoxazol-3-yl]-BLAHyl-methanone [5-[(3,4-difluorophenoxy)methyl]…

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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) 4.65 9.84 -9.11 0 5 0 56 388.414 4 ↓

Parameters Provided:

ring.id = 78106
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 = 78106 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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