ZINC 12

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)	5.48	9.8	-10.97	2	5	0	59	494.848	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.65	10.23	-32.01	3	5	1	64	495.856	5	↓ MOL2 SDF SMILES Flexibase

2088132

Analogs

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Popular Name: 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(2-thienyl)-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)	5.48	9.34	-12.99	2	5	0	59	494.848	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.65	9.95	-30.42	3	5	1	64	495.856	5	↓ MOL2 SDF SMILES Flexibase

2088133

Analogs

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Popular Name: 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(2-thienyl)-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)	5.48	9.34	-12.94	2	5	0	59	494.848	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.65	9.95	-30.48	3	5	1	64	495.856	5	↓ MOL2 SDF SMILES Flexibase

2088134

Analogs

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Popular Name: 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(2-thienyl)-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)	5.48	9.8	-11.17	2	5	0	59	494.848	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.65	10.23	-31.47	3	5	1	64	495.856	5	↓ MOL2 SDF SMILES Flexibase

2088137

Analogs

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Popular Name: 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(2-thienyl)-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)	5.50	9.58	-13.5	2	5	0	59	494.848	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.68	9.97	-35.93	3	5	1	64	495.856	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.75	7.57	-37.41	1	5	-1	69	493.84	5	↓ MOL2 SDF SMILES Flexibase

2088138

Analogs

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Popular Name: 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(2-thienyl)-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)	5.50	9.12	-14.6	2	5	0	59	494.848	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.68	9.69	-33.95	3	5	1	64	495.856	5	↓ MOL2 SDF SMILES Flexibase

2088139

Analogs

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Popular Name: 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(2-thienyl)-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)	5.50	9.12	-14.54	2	5	0	59	494.848	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.68	9.69	-33.99	3	5	1	64	495.856	5	↓ MOL2 SDF SMILES Flexibase

2088140

Analogs

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Popular Name: 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-chloro-5-(2-thienyl)-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)	5.50	9.58	-13.09	2	5	0	59	494.848	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.68	9.97	-35.57	3	5	1	64	495.856	5	↓ MOL2 SDF SMILES Flexibase

2088142

Analogs

673853
673855
673858

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Popular Name: 3-bromo-N-(3,4-dichlorophenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-bromo-N-(3,4-dichlorophenyl)-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)	6.04	-1.98	-11.58	2	5	0	58	540.192	4	↓ MOL2 SDF SMILES Flexibase

2088143

Analogs

673853
673855
673858

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-(3,4-dichlorophenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-bromo-N-(3,4-dichlorophenyl)-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)	6.04	-1.73	-12.89	2	5	0	58	540.192	4	↓ MOL2 SDF SMILES Flexibase

2088144

Analogs

673853
673855
673858

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-(3,4-dichlorophenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-bromo-N-(3,4-dichlorophenyl)-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)	6.04	-1.75	-11.68	2	5	0	58	540.192	4	↓ MOL2 SDF SMILES Flexibase

2088145

Analogs

673853
673855
673858

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-(3,4-dichlorophenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide 3-bromo-N-(3,4-dichlorophenyl)-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)	6.04	-1.94	-11.01	2	5	0	58	540.192	4	↓ MOL2 SDF SMILES Flexibase

2088146

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.61	0.7	-11.18	2	5	0	58	539.299	5	↓ MOL2 SDF SMILES Flexibase

2088147

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.61	0.98	-13.16	2	5	0	58	539.299	5	↓ MOL2 SDF SMILES Flexibase

2088148

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.61	0.99	-11.92	2	5	0	58	539.299	5	↓ MOL2 SDF SMILES Flexibase

2088149

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	5.61	0.71	-10.84	2	5	0	58	539.299	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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<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', {
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