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ZINC Item

Suppliers, Protomers, & Similar Substances

36138879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine 2-methyl-5-phenyl-pyrazolo[1,5-a…

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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)	2.29	6.43	-10.84	2	4	0	56	224.267	1	↓ MOL2 SDF SMILES Flexibase

20615623

Analogs

36615678
36615737

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-(2-fluorophenyl)pyrazolo[5,1-b]pyrimidine-7-carboxylic 3-bromo-5-(2-fluorophenyl)pyrazo…

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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)	3.13	7.56	-51.41	0	5	-1	70	335.112	2	↓ MOL2 SDF SMILES Flexibase

20615632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methoxyphenyl)pyrazolo[5,1-b]pyrimidine-3,7-dicarboxylic 5-(4-methoxyphenyl)pyrazolo[5,1-…

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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)	1.83	5.69	-114.07	0	8	-2	120	311.253	4	↓ MOL2 SDF SMILES Flexibase

20615689

Analogs

36615669
36615736
36615758
36615774

Draw Identity 99% 90% 80% 70%

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)	3.17	7.56	-10.93	0	6	0	66	317.732	4	↓ MOL2 SDF SMILES Flexibase

20615707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: O3-ethyl O3-ethyl

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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)	2.67	9.33	-13.21	0	7	0	83	325.324	6	↓ MOL2 SDF SMILES Flexibase

20615708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: O3-ethyl O3-ethyl

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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)	2.70	8.66	-16.26	0	8	0	92	355.35	7	↓ MOL2 SDF SMILES Flexibase

20615728

Analogs

36615715
36615737

Draw Identity 99% 90% 80% 70%

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)	3.49	8.88	-9.08	0	5	0	57	346.184	3	↓ MOL2 SDF SMILES Flexibase

20615730

Analogs

34832227
34832240
36615678

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-(2-fluorophenyl)-2-methyl-pyrazolo[5,1-b]pyrimidine-7-carboxylic 3-bromo-5-(2-fluorophenyl)-2-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	8.09	-53	0	5	-1	70	349.139	2	↓ MOL2 SDF SMILES Flexibase

20615927

Analogs

36615737

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-(3,4-dichlorophenyl)pyrazolo[5,1-b]pyrimidine-7-carboxylic 3-bromo-5-(3,4-dichlorophenyl)py…

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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)	4.30	8.3	-45.58	0	5	-1	70	386.012	2	↓ MOL2 SDF SMILES Flexibase

20615963

Analogs

36615695
36615753
36615773
20605052

Draw Identity 99% 90% 80% 70%

Popular Name: 5-phenylpyrazolo[5,1-b]pyrimidine-3,7-dicarboxylic 5-phenylpyrazolo[5,1-b]pyrimidin…

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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)	1.78	6.36	-114.7	0	7	-2	110	281.227	3	↓ MOL2 SDF SMILES Flexibase

20616024

Analogs

36610901

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-phenyl-7-(trifluorome…

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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)	4.20	8.58	-8.35	0	3	0	30	297.667	2	↓ MOL2 SDF SMILES Flexibase

20616025

Analogs

36610901

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-(3,4-dichlorophenyl)-…

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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)	5.49	9.45	-7.1	0	3	0	30	366.557	2	↓ MOL2 SDF SMILES Flexibase

20616028

Analogs

36610901

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-(p-tolyl)-7-(trifluor…

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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)	4.65	9.24	-8.12	0	3	0	30	311.694	2	↓ MOL2 SDF SMILES Flexibase

12399067

Analogs

36615731

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyano-5-phenyl-pyrazolo[5,1-b]pyrimidine-7-carboxylic 3-cyano-5-phenyl-pyrazolo[5,1-b]…

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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)	1.96	2.14	-46.36	0	6	-1	94	263.236	2	↓ MOL2 SDF SMILES Flexibase

12399068

Analogs

34831400
34832226
34832230
34832234
34832244

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Methyl-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid 2-Methyl-5-phenyl-pyrazolo[1,5-a…

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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)	2.50	0.8	-54.18	0	5	-1	70	252.253	2	↓ MOL2 SDF SMILES Flexibase

12399071

Analogs

34832277

Draw Identity 99% 90% 80% 70%

Popular Name: 5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid 5-phenylpyrazolo[1,5-a]pyrimidin…

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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)	2.28	0.69	-52.75	0	5	-1	70	238.226	2	↓ MOL2 SDF SMILES Flexibase

1384260

Analogs

2787053

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-(4-methoxyphenyl)-2-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)	4.48	3.23	-9.89	0	4	0	39	341.72	3	↓ MOL2 SDF SMILES Flexibase

1384261

Analogs

2787341

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(3-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-(3-methoxyphenyl)-2-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)	4.46	3.23	-11.17	0	4	0	39	341.72	3	↓ MOL2 SDF SMILES Flexibase

1384262

Analogs

2786530
2786964

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-fluorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-(4-fluorophenyl)-2-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)	4.59	3.95	-8.89	0	3	0	30	329.684	2	↓ MOL2 SDF SMILES Flexibase

1384274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[chloro(difluoro)methyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine 7-[chloro(difluoro)methyl]-2-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.02	4.59	-8.3	0	3	0	30	361.701	3	↓ MOL2 SDF SMILES Flexibase

1384279

Analogs

2782843

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 2-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl ether methyl 2-[2-methyl-7-(trifluorom…

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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)	3.83	3.83	-11.54	0	4	0	39	307.275	3	↓ MOL2 SDF SMILES Flexibase

1384282

Analogs

2786566

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 3-chloro-5-(2-methoxyphenyl)-2-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)	4.43	3.65	-11.09	0	4	0	39	341.72	3	↓ MOL2 SDF SMILES Flexibase

1384393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile 5-(3-fluoro-4-methoxyphenyl)-6-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)	2.67	3.58	-13.31	0	5	0	63	282.278	2	↓ MOL2 SDF SMILES Flexibase

1384394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-2-fluorophenyl methyl ether 4-(2,6-dimethylpyrazolo[1,5-a]py…

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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	2.26	-10.81	0	4	0	39	271.295	2	↓ MOL2 SDF SMILES Flexibase

1386283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyanomethyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile 2-(cyanomethyl)-5-(3-fluoro-4-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)	2.88	4.83	-17.77	0	6	0	87	321.315	3	↓ MOL2 SDF SMILES Flexibase

2082136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-(2-methoxyet…

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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)	3.82	-0.31	-11.07	0	1	0	68	443.223	6	↓ MOL2 SDF SMILES Flexibase

2083512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-(4-bromophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 3-bromo-5-(4-bromophenyl)-N-(2-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)	4.56	7.26	-11.72	1	6	0	69	522.119	6	↓ MOL2 SDF SMILES Flexibase

2083775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide 5-(4-bromophenyl)-N-propyl-7-(tr…

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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)	4.41	0.74	-15.22	1	5	0	59	427.224	5	↓ MOL2 SDF SMILES Flexibase

2083899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-5-(4-bromophenyl)-N-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 3-bromo-5-(4-bromophenyl)-N-buty…

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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)	6.01	9.72	-10.44	1	5	0	59	520.147	6	↓ MOL2 SDF SMILES Flexibase

2084295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-3-chloro-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-(2-…

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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)	4.43	-0.45	-11.91	1	6	0	68	477.668	6	↓ MOL2 SDF SMILES Flexibase

2084484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-butyl-3-chlo…

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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)	5.88	0.42	-10.64	1	5	0	59	475.696	6	↓ MOL2 SDF SMILES Flexibase

2084500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-N-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-N-butyl-7-(tri…

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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)	5.28	0.55	-9.68	1	5	0	59	441.251	6	↓ MOL2 SDF SMILES Flexibase

2084501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-3-chloro-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-pro…

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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)	5.32	0.3	-10.78	1	5	0	59	461.669	5	↓ MOL2 SDF SMILES Flexibase

2084506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-(cyanomethyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 3-bromo-N-(cyanomethyl)-5-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)	3.55	7.28	-12.6	1	6	0	83	424.18	4	↓ MOL2 SDF SMILES Flexibase

2086739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl-[3-[[5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]propyl]ammoni diethyl-[3-[[5-(p-tolyl)-7-(trif…

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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)	4.22	2.54	-48.72	2	6	1	63	434.486	9	↓ MOL2 SDF SMILES Flexibase

2781889

Analogs

21788867
21788871
21788875
21788900
21788904

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-methyl-ester 7-(difluoromethyl)-5-(2-methoxyp…

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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)	3.01	4.21	-17.49	0	6	0	65	333.294	5	↓ MOL2 SDF SMILES Flexibase

2781909

Analogs

12396852
2781395

Draw Identity 99% 90% 80% 70%

Popular Name: 5-p-cumenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-methyl-ester 5-p-cumenyl-7-(trifluoromethyl)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)	4.87	5.17	-12.71	0	5	0	56	363.339	5	↓ MOL2 SDF SMILES Flexibase

2781994

Analogs

845228

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-ethyl-ester 5-(4-bromophenyl)-7-(difluoromet…

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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	2.96	-20.05	0	5	0	56	396.191	5	↓ MOL2 SDF SMILES Flexibase

2782028

Analogs

2780919

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-methyl-ester 5-(4-chlorophenyl)-7-(trifluorom…

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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)	4.04	4.22	-12.72	0	5	0	56	355.703	4	↓ MOL2 SDF SMILES Flexibase

2782427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-methyl-ester 7-(difluoromethyl)-5-(3,4-dimeth…

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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)	3.83	4.36	-15.98	0	5	0	56	331.322	4	↓ MOL2 SDF SMILES Flexibase

2782622

Analogs

2766679

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(3,4-dimethylphenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine 7-(difluoromethyl)-5-(3,4-dimeth…

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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)	4.29	3.36	-15.33	0	3	0	30	287.313	2	↓ MOL2 SDF SMILES Flexibase

2782646

Analogs

2783647

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-ethyl-ester 5-(3,4-dichlorophenyl)-7-(triflu…

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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)	5.02	4.02	-10.52	0	5	0	56	404.175	5	↓ MOL2 SDF SMILES Flexibase

2782802

Analogs

653068

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-ethyl-ester 5-(4-chlorophenyl)-7-(difluorome…

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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)	4.06	3.57	-20.16	0	5	0	56	351.74	5	↓ MOL2 SDF SMILES Flexibase

2782822

Analogs

2786533
171351

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(4-methoxyphenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine 7-(difluoromethyl)-5-(4-methoxyp…

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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	7.83	-11.75	0	4	0	39	289.285	3	↓ MOL2 SDF SMILES Flexibase

2782843

Analogs

1384279

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(2-methoxyphenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine 7-(difluoromethyl)-5-(2-methoxyp…

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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)	3.47	3.22	-17.96	0	4	0	39	289.285	3	↓ MOL2 SDF SMILES Flexibase

2783488

Analogs

374955
2770832
2766655

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(4-ethylphenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine 7-(difluoromethyl)-5-(4-ethylphe…

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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)	4.38	3.22	-10.36	0	3	0	30	287.313	3	↓ MOL2 SDF SMILES Flexibase

2783619

Analogs

21789126
21789130
21792735
21792739
844988

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-ethyl-ester 7-(difluoromethyl)-5-(3,4-dimeth…

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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)	3.02	4.07	-18.87	0	7	0	74	377.347	7	↓ MOL2 SDF SMILES Flexibase

2783647

Analogs

2782646

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic-acid-ethyl-ester 5-(3,4-dichlorophenyl)-7-(difluo…

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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)	4.66	3.44	-12.89	0	5	0	56	386.185	5	↓ MOL2 SDF SMILES Flexibase

2783699

Analogs

1116066

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-7-(difluoromethyl)-2-methyl-pyrazolo[1,5-a]pyrimidine 5-(4-bromophenyl)-7-(difluoromet…

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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)	4.27	1.98	-10.05	0	3	0	30	338.155	2	↓ MOL2 SDF SMILES Flexibase

2783781

Analogs

2796652
618988

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(difluoromethyl)-5-(3-methoxyphenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine 7-(difluoromethyl)-5-(3-methoxyp…

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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)	3.50	2.76	-13.12	0	4	0	39	289.285	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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