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ZINC Item

Suppliers, Protomers, & Similar Substances

12226836

Analogs

12227020
22318500
36614213
10641729
10641789

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(4-acetamidophenyl)-3-methyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	-1.87	-18.82	2	7	0	97	386.411	4	↓ MOL2 SDF SMILES Flexibase

12226938

Analogs

25006603
25006607
10641766

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.66	-0.36	-17.11	1	6	0	85	371.396	4	↓ MOL2 SDF SMILES Flexibase

12227020

Analogs

12227059
12227245
12892111
22318500
36614231

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	6.84	-16.69	1	5	0	68	329.359	3	↓ MOL2 SDF SMILES Flexibase

12227059

Analogs

12892111
12897503
22318500
12227020
10641816

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.16	-0.3	-13.1	1	5	0	68	343.386	3	↓ MOL2 SDF SMILES Flexibase

12227106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(2,3-dimethylphenyl)-3-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.56	-0.07	-12.62	1	5	0	68	357.413	3	↓ MOL2 SDF SMILES Flexibase

12227163

Analogs

25511571
36613374
36613545
36613720
36613803

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.92	-0.01	-14.85	1	5	0	68	347.349	3	↓ MOL2 SDF SMILES Flexibase

12227187

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.19	-0.72	-15.14	1	6	0	77	373.412	5	↓ MOL2 SDF SMILES Flexibase

12227245

Analogs

12897503
22318500
25006603
25006607
36617350

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-6-phenyl-N-(p-tolyl)isoxazolo[5,4-b]pyridine-4-carboxamide 3-methyl-6-phenyl-N-(p-tolyl)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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	-0.42	-13.44	1	5	0	68	343.386	3	↓ MOL2 SDF SMILES Flexibase

12227301

Analogs

12229632
12900981
12901595
36617394
36617986

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-6-methyl-phenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(2-ethyl-6-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	0.14	-11.9	1	5	0	68	371.44	4	↓ MOL2 SDF SMILES Flexibase

12227911

Analogs

22316978
10642060

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-carbamoylphenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(4-carbamoylphenyl)-3-methyl-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	-3.44	-18.99	3	7	0	111	372.384	4	↓ MOL2 SDF SMILES Flexibase

12228094

Analogs

10642126

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.05	-4.85	-22.38	1	8	0	105	436.493	5	↓ MOL2 SDF SMILES Flexibase

12228324

Analogs

31520542
31814541
36614213
36614231
36617497

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(3,5-dimethoxyphenyl)-3-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	-0.83	-15.02	1	7	0	86	389.411	5	↓ MOL2 SDF SMILES Flexibase

12228364

Analogs

12756230
36613912

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-fluoro-phenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(4-chloro-2-fluoro-phenyl)-3-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.53	-0.22	-11.07	1	5	0	68	381.794	3	↓ MOL2 SDF SMILES Flexibase

12228687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4-methyl-phenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(2-bromo-4-methyl-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.95	-1.07	-10.56	1	5	0	68	422.282	3	↓ MOL2 SDF SMILES Flexibase

12228749

Analogs

36618488
36619015
10642362

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.49	0.53	-18.77	1	6	0	92	354.369	3	↓ MOL2 SDF SMILES Flexibase

12228819

Analogs

14207363
36617991
36618969

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(2,4-dimethoxyphenyl)-3-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	-0.7	-12.92	1	7	0	86	389.411	5	↓ MOL2 SDF SMILES Flexibase

12228879

Analogs

36613694
36614213

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(3-chloro-4-methoxy-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.42	-0.93	-16.63	1	6	0	77	393.83	4	↓ MOL2 SDF SMILES Flexibase

12229075

Analogs

36613803
36617965
36617987
36618010
36618025

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-3-methyl-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-(5-chloro-2-methyl-phenyl)-3-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.82	-0.44	-13.86	1	5	0	68	377.831	3	↓ MOL2 SDF SMILES Flexibase

12229554

Analogs

29076970
10642744

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	-4.72	-19.15	1	9	0	115	466.519	6	↓ MOL2 SDF SMILES Flexibase

12229632

Analogs

12901595
36617394
36617986
12227301

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	-0.15	-12.72	1	5	0	68	357.413	4	↓ MOL2 SDF SMILES Flexibase

12229781

Analogs

14266968
36617991
36618969
36619055

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	-1.82	-17.11	2	8	0	106	416.437	5	↓ MOL2 SDF SMILES Flexibase

22698606

Analogs

14289733

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.64	7.76	-22.22	2	7	0	97	428.492	5	↓ MOL2 SDF SMILES Flexibase

22702354

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	4.39	-26.83	2	8	0	114	436.493	5	↓ MOL2 SDF SMILES Flexibase

22993903

Analogs

25070491
25779419

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-methyl-N-(o-tolyl)-6-phenyl-isoxazolo[5,4-b]pyridine-4-carboxamide N-ethyl-3-methyl-N-(o-tolyl)-6-p…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.78	10.58	-12.74	0	5	0	59	371.44	4	↓ MOL2 SDF SMILES Flexibase

23003590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-fluoro-phenyl)-3-methyl-6-(p-tolyl)isoxazolo[5,4-b]pyridine-4-carboxamide N-(5-acetamido-2-fluoro-phenyl)-…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	6.8	-18.81	2	7	0	97	418.428	4	↓ MOL2 SDF SMILES Flexibase

23003598

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.19	6.2	-23.72	2	7	0	97	422.391	4	↓ MOL2 SDF SMILES Flexibase

23010298

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	8.46	-23.13	1	5	0	68	371.371	3	↓ MOL2 SDF SMILES Flexibase

24988232

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.82	6.8	-34.44	1	7	0	88	418.428	4	↓ MOL2 SDF SMILES Flexibase

25464761

Analogs

9049591
22836511
11246765
11246781
11246775

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	6.07	-28.05	2	7	0	97	404.401	4	↓ MOL2 SDF SMILES Flexibase

58537453

Analogs

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Popular Name: methyl 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.70	8.45	-15.79	1	7	0	94	439.83	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.77	6.58	-40.12	0	7	-1	101	438.822	5	↓ MOL2 SDF SMILES Flexibase

14231504

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.21	5.2	-19.48	1	8	0	105	454.483	5	↓ MOL2 SDF SMILES Flexibase

14260637

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.79	8.87	-12.28	1	5	0	68	375.403	4	↓ MOL2 SDF SMILES Flexibase

14260786

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	7.4	-12.64	1	5	0	68	383.329	3	↓ MOL2 SDF SMILES Flexibase

14261030

Analogs

12873643

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-methyl-6-(p-tolyl)isoxazolo[5,4-b]pyridine-4-carboxamide N-(5-chloro-2,4-dimethoxy-phenyl…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.86	7.09	-14.64	1	7	0	86	437.883	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 95583
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 = 95583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "95583"        

    });
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