UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21964236
21964236
25392957
25392957
25392962
25392962
25405836
25405836
25405838
25405838

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Popular Name: N-benzyl-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-benzyl-3-methyl-6-phenyl-isoxa…

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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) 3.46 -1.5 -12.08 1 5 0 68 343.386 4 ↓

Analogs

36617353
36617353
36618942
36618942
36618943
36618943
10642370
10642370

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Popular Name: N-[(2-methoxyphenyl)methyl]-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-[(2-methoxyphenyl)methyl]-3-me…

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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) 3.47 -1.43 -12.78 1 6 0 77 373.412 5 ↓

Analogs

12770988
12770988
12799861
12799861
36613329
36613329
36613656
36613656
36613707
36613707

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Popular Name: N-[(4-fluorophenyl)methyl]-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-[(4-fluorophenyl)methyl]-3-met…

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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) 3.63 -0.76 -13.64 1 5 0 68 361.376 4 ↓

Analogs

22316420
22316420

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Popular Name: N-[(2-fluorophenyl)methyl]-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-[(2-fluorophenyl)methyl]-3-met…

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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) 3.58 -0.81 -13.18 1 5 0 68 361.376 4 ↓

Analogs

45684016
45684016

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Popular Name: N,3-dimethyl-N-(o-tolylmethyl)-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N,3-dimethyl-N-(o-tolylmethyl)-6…

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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) 3.64 10.42 -13.74 0 5 0 59 371.44 4 ↓

Analogs

12892162
12892162

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Popular Name: N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-[(4-methoxyphenyl)methyl]-N,3-…

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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) 3.29 8.4 -15.06 0 6 0 68 387.439 5 ↓

Analogs

25467237
25467237
25467243
25467243

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Popular Name: N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N,3-dimethyl-N-[(4-methylsulfany…

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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) 3.67 10.13 -14.52 0 5 0 59 403.507 5 ↓

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-3-methyl-6-phenyl-N-prop-2-ynyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-[(4-fluorophenyl)methyl]-3-met…

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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) 3.56 10.64 -15.05 0 5 0 59 399.425 5 ↓

Parameters Provided:

ring.id = 95641
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 = 95641 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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