ZINC 12

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ZINC Item

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64543173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(2,5-dimethylphenyl)-7-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)	2.97	7.56	-9.18	1	5	0	59	280.331	2	↓ MOL2 SDF SMILES Flexibase

64543174

Analogs

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Popular Name: 7-methyl-N-(o-tolyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide 7-methyl-N-(o-tolyl)pyrazolo[1,5…

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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)	2.54	6.94	-8.95	1	5	0	59	266.304	2	↓ MOL2 SDF SMILES Flexibase

64543175

Analogs

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Popular Name: 7-methyl-N-(m-tolyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide 7-methyl-N-(m-tolyl)pyrazolo[1,5…

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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)	2.57	6.72	-8.98	1	5	0	59	266.304	2	↓ MOL2 SDF SMILES Flexibase

64543177

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(2,3-dimethylphenyl)-7-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)	2.94	7.45	-9.12	1	5	0	59	280.331	2	↓ MOL2 SDF SMILES Flexibase

64543178

Analogs

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Popular Name: N-(2-fluorophenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(2-fluorophenyl)-7-methyl-pyra…

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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)	2.26	6.17	-9.21	1	5	0	59	270.267	2	↓ MOL2 SDF SMILES Flexibase

64543179

Analogs

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Popular Name: N-(4-fluorophenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(4-fluorophenyl)-7-methyl-pyra…

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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)	2.31	6.13	-8.73	1	5	0	59	270.267	2	↓ MOL2 SDF SMILES Flexibase

64543180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(2,4-dimethylphenyl)-7-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)	2.97	7.61	-8.94	1	5	0	59	280.331	2	↓ MOL2 SDF SMILES Flexibase

64543181

Analogs

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Popular Name: N-(3,4-difluorophenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(3,4-difluorophenyl)-7-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)	2.40	6.18	-10.87	1	5	0	59	288.257	2	↓ MOL2 SDF SMILES Flexibase

64543182

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(4-fluoro-2-methyl-phenyl)-7-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)	2.68	7.01	-8.55	1	5	0	59	284.294	2	↓ MOL2 SDF SMILES Flexibase

64543183

Analogs

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Popular Name: N-(4-chlorophenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(4-chlorophenyl)-7-methyl-pyra…

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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	6.58	-8.28	1	5	0	59	286.722	2	↓ MOL2 SDF SMILES Flexibase

64543184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(3-fluorophenyl)-7-methyl-pyra…

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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	6.13	-10.43	1	5	0	59	270.267	2	↓ MOL2 SDF SMILES Flexibase

64543185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-3-methyl-phenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(4-fluoro-3-methyl-phenyl)-7-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)	2.68	6.75	-8.9	1	5	0	59	284.294	2	↓ MOL2 SDF SMILES Flexibase

64543186

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-methyl-phenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(2-fluoro-4-methyl-phenyl)-7-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)	2.68	6.84	-8.73	1	5	0	59	284.294	2	↓ MOL2 SDF SMILES Flexibase

64543187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-5-methyl-phenyl)-7-methyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(2-fluoro-5-methyl-phenyl)-7-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)	2.68	6.84	-9.07	1	5	0	59	284.294	2	↓ MOL2 SDF SMILES Flexibase

64543188

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-methyl-N-phenyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide 7-methyl-N-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)	2.14	6.06	-9	1	5	0	59	252.277	2	↓ MOL2 SDF SMILES Flexibase

64543191

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,7-dimethyl-N-(o-tolyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide 2,7-dimethyl-N-(o-tolyl)pyrazolo…

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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)	2.76	7.52	-8.99	1	5	0	59	280.331	2	↓ MOL2 SDF SMILES Flexibase

64543192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(2-fluorophenyl)-2,7-dimethyl-…

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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)	2.48	6.74	-9.27	1	5	0	59	284.294	2	↓ MOL2 SDF SMILES Flexibase

64543193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(4-fluorophenyl)-2,7-dimethyl-…

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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)	2.53	6.7	-8.74	1	5	0	59	284.294	2	↓ MOL2 SDF SMILES Flexibase

64543194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(4-chlorophenyl)-2,7-dimethyl-…

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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)	3.04	7.15	-8.34	1	5	0	59	300.749	2	↓ MOL2 SDF SMILES Flexibase

64543195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(3-fluorophenyl)-2,7-dimethyl-…

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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	6.7	-10.41	1	5	0	59	284.294	2	↓ MOL2 SDF SMILES Flexibase

64543196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-fluoro-2-methyl-phenyl)-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(5-fluoro-2-methyl-phenyl)-2,7…

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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)	2.90	7.6	-10.2	1	5	0	59	298.321	2	↓ MOL2 SDF SMILES Flexibase

64543197

Analogs

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Popular Name: N-(2-fluoro-4-methyl-phenyl)-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(2-fluoro-4-methyl-phenyl)-2,7…

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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)	2.90	7.42	-8.78	1	5	0	59	298.321	2	↓ MOL2 SDF SMILES Flexibase

64543198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-5-methyl-phenyl)-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide N-(2-fluoro-5-methyl-phenyl)-2,7…

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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)	2.90	7.42	-9.15	1	5	0	59	298.321	2	↓ MOL2 SDF SMILES Flexibase

64543199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,7-dimethyl-N-phenyl-pyrazolo[1,5-a]pyrimidine-5-carboxamide 2,7-dimethyl-N-phenyl-pyrazolo[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)	2.36	6.63	-8.95	1	5	0	59	266.304	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 368240
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 = 368240 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=368240&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": "368240"        

    });
</script>

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