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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11820365
11820365

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Popular Name: [(5R)-3-isopropyl-4,5-dihydroisoxazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl) [(5R)-3-isopropyl-4,5-dihydroiso…

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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) 2.46 8.24 -22.33 1 6 0 71 338.411 3 ↓

Analogs

11820364
11820364

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Popular Name: [(5S)-3-isopropyl-4,5-dihydroisoxazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl) [(5S)-3-isopropyl-4,5-dihydroiso…

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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) 2.46 8.28 -22.66 1 6 0 71 338.411 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-3,5-dimethyl-4H-isoxazol-5-yl]-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5 [(5R)-3,5-dimethyl-4H-isoxazol-5…

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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) 2.19 5.79 -13.32 1 7 0 80 354.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-3,5-dimethyl-4H-isoxazol-5-yl]-[3-(3-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5 [(5S)-3,5-dimethyl-4H-isoxazol-5…

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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) 2.19 5.73 -14.29 1 7 0 80 354.41 3 ↓

Parameters Provided:

ring.id = 53175
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 = 53175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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