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ZINC Item

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2088121

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-phenyl-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 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)	5.60	10.57	-12.63	2	5	0	59	488.819	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.78	10.93	-39.11	3	5	1	64	489.827	5	↓ MOL2 SDF SMILES Flexibase

2088122

Analogs

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Popular Name: 3-chloro-5-phenyl-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 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)	5.60	9.83	-13.83	2	5	0	59	488.819	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.78	10.27	-37.58	3	5	1	64	489.827	5	↓ MOL2 SDF SMILES Flexibase

2088123

Analogs

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Popular Name: 3-chloro-5-phenyl-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 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)	5.60	9.83	-13.9	2	5	0	59	488.819	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.78	10.33	-35.32	3	5	1	64	489.827	5	↓ MOL2 SDF SMILES Flexibase

2088124

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-phenyl-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 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)	5.60	10.57	-12.89	2	5	0	59	488.819	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.78	11	-36.03	3	5	1	64	489.827	5	↓ MOL2 SDF SMILES Flexibase

2088177

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-(4-bromophenyl)-3-chloro-5-(4-…

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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)	6.22	-1	-11.03	2	5	0	58	534.163	4	↓ MOL2 SDF SMILES Flexibase

2088178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-(4-bromophenyl)-3-chloro-5-(4-…

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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)	6.22	-1.4	-12.24	2	5	0	58	534.163	4	↓ MOL2 SDF SMILES Flexibase

2088179

Analogs

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Popular Name: N-(4-bromophenyl)-3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-(4-bromophenyl)-3-chloro-5-(4-…

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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)	6.22	-1.32	-13.07	2	5	0	58	534.163	4	↓ MOL2 SDF SMILES Flexibase

2088180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromophenyl)-3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-(4-bromophenyl)-3-chloro-5-(4-…

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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)	6.22	-0.95	-11.34	2	5	0	58	534.163	4	↓ MOL2 SDF SMILES Flexibase

2088257

Analogs

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Popular Name: N-(2-bromo-4,6-difluorophenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-(2-bromo-4,6-difluorophenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	1.2	-11.27	2	5	0	58	535.698	4	↓ MOL2 SDF SMILES Flexibase

2088258

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,6-difluorophenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-(2-bromo-4,6-difluorophenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	1.07	-13.07	2	5	0	58	535.698	4	↓ MOL2 SDF SMILES Flexibase

2088259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,6-difluorophenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-(2-bromo-4,6-difluorophenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	1.07	-13.08	2	5	0	58	535.698	4	↓ MOL2 SDF SMILES Flexibase

2088260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,6-difluorophenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide N-(2-bromo-4,6-difluorophenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.79	1.19	-11.26	2	5	0	58	535.698	4	↓ MOL2 SDF SMILES Flexibase

2088265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-N-(2,3-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)	6.05	-0.13	-11.49	2	6	0	68	519.738	5	↓ MOL2 SDF SMILES Flexibase

2088266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-N-(2,3-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)	6.05	-0.53	-13.04	2	6	0	68	519.738	5	↓ MOL2 SDF SMILES Flexibase

2088267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-N-(2,3-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)	6.05	-0.52	-13.01	2	6	0	68	519.738	5	↓ MOL2 SDF SMILES Flexibase

2088268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-N-(2,3-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)	6.05	-0.19	-11.21	2	6	0	68	519.738	5	↓ MOL2 SDF SMILES Flexibase

2088330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-N-(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)	6.07	-0.36	-12.67	2	6	0	68	519.738	5	↓ MOL2 SDF SMILES Flexibase

2088331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-N-(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)	6.07	-0.7	-15.37	2	6	0	68	519.738	5	↓ MOL2 SDF SMILES Flexibase

2088332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-N-(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)	6.07	-0.71	-14.3	2	6	0	68	519.738	5	↓ MOL2 SDF SMILES Flexibase

2088333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-N-(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)	6.07	-0.37	-12.85	2	6	0	68	519.738	5	↓ MOL2 SDF SMILES Flexibase

2088360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(4-methoxyphenyl)-7-(…

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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)	5.66	2.08	-11.23	2	6	0	68	518.845	6	↓ MOL2 SDF SMILES Flexibase

2088361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(4-methoxyphenyl)-7-(…

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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)	5.66	1.72	-13.09	2	6	0	68	518.845	6	↓ MOL2 SDF SMILES Flexibase

2088362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(4-methoxyphenyl)-7-(…

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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)	5.66	1.76	-12.84	2	6	0	68	518.845	6	↓ MOL2 SDF SMILES Flexibase

2088363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(4-methoxyphenyl)-7-(…

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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)	5.66	2.06	-14.15	2	6	0	68	518.845	6	↓ MOL2 SDF SMILES Flexibase

2088430

Analogs

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Popular Name: 5-(4-bromophenyl)-3-chloro-N-(2,4-difluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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)	5.79	0.72	-10.5	2	5	0	58	535.698	4	↓ MOL2 SDF SMILES Flexibase

2088431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-3-chloro-N-(2,4-difluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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)	5.79	0.41	-12	2	5	0	58	535.698	4	↓ MOL2 SDF SMILES Flexibase

2088432

Analogs

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Popular Name: 5-(4-bromophenyl)-3-chloro-N-(2,4-difluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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)	5.79	0.32	-12.1	2	5	0	58	535.698	4	↓ MOL2 SDF SMILES Flexibase

2088433

Analogs

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Popular Name: 5-(4-bromophenyl)-3-chloro-N-(2,4-difluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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)	5.79	0.65	-9.86	2	5	0	58	535.698	4	↓ MOL2 SDF SMILES Flexibase

2088434

Analogs

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Popular Name: 5-(4-bromophenyl)-3-chloro-N-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-(4-…

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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)	6.22	-1	-11.02	2	5	0	58	534.163	4	↓ MOL2 SDF SMILES Flexibase

2088435

Analogs

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Popular Name: 5-(4-bromophenyl)-3-chloro-N-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-(4-…

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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)	6.22	-1.42	-12.33	2	5	0	58	534.163	4	↓ MOL2 SDF SMILES Flexibase

2088436

Analogs

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Popular Name: 5-(4-bromophenyl)-3-chloro-N-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-(4-…

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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)	6.22	-1.33	-13.11	2	5	0	58	534.163	4	↓ MOL2 SDF SMILES Flexibase

2088437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-bromophenyl)-3-chloro-N-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 5-(4-bromophenyl)-3-chloro-N-(4-…

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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)	6.22	-0.95	-11.4	2	5	0	58	534.163	4	↓ MOL2 SDF SMILES Flexibase

5200781

Analogs

5200782
5200785
5200787

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-4-phenyl-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-8-carboxamid N-(4-cyanophenyl)-4-phenyl-2-(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)	3.88	9.42	-11.82	2	6	0	83	411.387	4	↓ MOL2 SDF SMILES Flexibase

5200782

Analogs

5200785
5200787
5200781

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-4-phenyl-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-8-carboxamid N-(4-cyanophenyl)-4-phenyl-2-(tr…

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Activity (Go SEA)

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)	3.88	8.69	-13.07	2	6	0	83	411.387	4	↓ MOL2 SDF SMILES Flexibase

5200785

Analogs

5200787
5200781
5200782

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-4-phenyl-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-8-carboxamid N-(4-cyanophenyl)-4-phenyl-2-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.88	8.69	-12.93	2	6	0	83	411.387	4	↓ MOL2 SDF SMILES Flexibase

5200787

Analogs

5200781
5200782

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-4-phenyl-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-8-carboxamid N-(4-cyanophenyl)-4-phenyl-2-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.88	9.42	-11.71	2	6	0	83	411.387	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 231448
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 = 231448 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=231448&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "231448"        

    });
</script>

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