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ZINC Item

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64977670

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(2,5-dimethylphenyl)-3-[2-(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	12.13	-31.46	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977671

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(3,5-dimethylphenyl)-3-[2-(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	11.92	-31.62	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977672

Analogs

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Popular Name: N-(4-isopropylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propan N-(4-isopropylphenyl)-3-[2-(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)	5.15	12.55	-31.65	1	7	0	78	458.562	7	↓ MOL2 SDF SMILES Flexibase

64977673

Analogs

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Popular Name: N-(3-ethylphenyl)-3-[2-(2-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanamid N-(3-ethylphenyl)-3-[2-(2-methox…

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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	12.02	-31.16	1	7	0	78	444.535	7	↓ MOL2 SDF SMILES Flexibase

64977674

Analogs

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Popular Name: N-(2-ethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanamid N-(2-ethylphenyl)-3-[2-(3-methox…

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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	12.02	-32.1	1	7	0	78	444.535	7	↓ MOL2 SDF SMILES Flexibase

64977675

Analogs

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl N-(5-fluoro-2-methyl-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)	4.20	11.31	-34.9	1	7	0	78	448.498	6	↓ MOL2 SDF SMILES Flexibase

64977677

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(2,5-dimethylphenyl)-3-[2-(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)	4.49	11.86	-32.14	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977678

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(3,4-dimethylphenyl)-3-[2-(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)	4.49	11.54	-32.24	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977679

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(3,5-dimethylphenyl)-3-[2-(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)	4.49	11.65	-32.22	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977680

Analogs

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Popular Name: N-(4-isopropylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propan N-(4-isopropylphenyl)-3-[2-(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)	5.17	12.28	-32.37	1	7	0	78	458.562	7	↓ MOL2 SDF SMILES Flexibase

64977681

Analogs

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Popular Name: N-(3-ethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanamid N-(3-ethylphenyl)-3-[2-(3-methox…

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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)	4.55	11.76	-31.89	1	7	0	78	444.535	7	↓ MOL2 SDF SMILES Flexibase

64977682

Analogs

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Popular Name: N-(4-acetylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanami N-(4-acetylphenyl)-3-[2-(3-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)	3.56	10.77	-35.69	1	8	0	95	458.518	7	↓ MOL2 SDF SMILES Flexibase

64977684

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(2,4-dimethylphenyl)-3-[2-(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)	4.49	11.91	-32.69	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977685

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-ethylphenyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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)	4.90	13.33	-26.65	1	6	0	68	428.536	6	↓ MOL2 SDF SMILES Flexibase

64977686

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluorophenyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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	11.77	-26.9	1	6	0	68	418.472	5	↓ MOL2 SDF SMILES Flexibase

64977688

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(3,4-dimethylphenyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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	12.92	-27.17	1	6	0	68	428.536	5	↓ MOL2 SDF SMILES Flexibase

64977689

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(3,5-dimethylphenyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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	13.04	-27.07	1	6	0	68	428.536	5	↓ MOL2 SDF SMILES Flexibase

64977690

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylsulfanylphenyl)propanami 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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)	4.44	12.73	-28.8	1	6	0	68	446.576	6	↓ MOL2 SDF SMILES Flexibase

64977692

Analogs

8600481

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-isopropylphenyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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)	5.54	13.62	-26.64	1	6	0	68	442.563	6	↓ MOL2 SDF SMILES Flexibase

64977693

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-ethylphenyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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)	4.92	13.1	-26.66	1	6	0	68	428.536	6	↓ MOL2 SDF SMILES Flexibase

64977695

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-fluoro-4-methyl-phenyl)propana 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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)	4.57	12.42	-28.39	1	6	0	68	432.499	5	↓ MOL2 SDF SMILES Flexibase

64977696

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propana N-(3-chloro-4-fluoro-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)	4.80	12.27	-27.97	1	6	0	68	452.917	5	↓ MOL2 SDF SMILES Flexibase

64977697

Analogs

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Popular Name: N-(3,4-difluorophenyl)-3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanamide N-(3,4-difluorophenyl)-3-[4,5-di…

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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	11.82	-28.98	1	6	0	68	436.462	5	↓ MOL2 SDF SMILES Flexibase

64977699

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(trifluoromethoxy)phenyl]propa 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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)	5.00	11.48	-27.08	1	7	0	78	484.478	7	↓ MOL2 SDF SMILES Flexibase

64977700

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propan 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)	4.69	11.56	-29.26	1	7	0	78	464.953	6	↓ MOL2 SDF SMILES Flexibase

64977701

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-fluoro-2-methyl-phenyl)propana 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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)	4.57	12.66	-27.08	1	6	0	68	432.499	5	↓ MOL2 SDF SMILES Flexibase

64977702

Analogs

8600481

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(p-tolyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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	12.33	-26.84	1	6	0	68	414.509	5	↓ MOL2 SDF SMILES Flexibase

64977703

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(o-tolyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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	12.59	-27.16	1	6	0	68	414.509	5	↓ MOL2 SDF SMILES Flexibase

64977704

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(m-tolyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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)	4.45	12.34	-26.83	1	6	0	68	414.509	5	↓ MOL2 SDF SMILES Flexibase

64977705

Analogs

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Popular Name: 3-[4,5-dimethyl-2-(o-tolyl)-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,4-dimethylphenyl)propanamide 3-[4,5-dimethyl-2-(o-tolyl)-7-ox…

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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	13.23	-27.2	1	6	0	68	428.536	5	↓ MOL2 SDF SMILES Flexibase

64977711

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(2,3-dimethylphenyl)-3-[2-(4-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)	4.49	11.74	-28.65	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977712

Analogs

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Popular Name: ethyl 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)	4.21	11.87	-33.69	1	9	0	104	488.544	9	↓ MOL2 SDF SMILES Flexibase

64977713

Analogs

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Popular Name: N-(2-ethylphenyl)-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanamid N-(2-ethylphenyl)-3-[2-(4-methox…

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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)	4.55	12	-28.67	1	7	0	78	444.535	7	↓ MOL2 SDF SMILES Flexibase

64977714

Analogs

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Popular Name: N-(4-ethylphenyl)-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanamid N-(4-ethylphenyl)-3-[2-(4-methox…

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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)	4.60	11.74	-28.42	1	7	0	78	444.535	7	↓ MOL2 SDF SMILES Flexibase

64977715

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(2,5-dimethylphenyl)-3-[2-(4-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)	4.51	11.85	-28.67	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977717

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(3,4-dimethylphenyl)-3-[2-(4-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)	4.51	11.53	-28.83	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977718

Analogs

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Popular Name: N-(4-isopropylphenyl)-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propan N-(4-isopropylphenyl)-3-[2-(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)	5.20	12.26	-28.85	1	7	0	78	458.562	7	↓ MOL2 SDF SMILES Flexibase

64977719

Analogs

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Popular Name: N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propanami N-(4-acetylphenyl)-3-[2-(4-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)	3.58	10.76	-32.27	1	8	0	95	458.518	7	↓ MOL2 SDF SMILES Flexibase

64977720

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]propa N-(2,4-dimethylphenyl)-3-[2-(4-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)	4.51	11.89	-29.23	1	7	0	78	444.535	6	↓ MOL2 SDF SMILES Flexibase

64977721

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)p 3-[2-(3,4-dimethoxyphenyl)-4,5-d…

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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)	4.08	11.66	-31.78	1	8	0	87	474.561	7	↓ MOL2 SDF SMILES Flexibase

64977722

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propan 3-[2-(3,4-dimethoxyphenyl)-4,5-d…

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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	11.66	-31.57	1	8	0	87	474.561	8	↓ MOL2 SDF SMILES Flexibase

64977723

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,5-dimethylphenyl)p 3-[2-(3,4-dimethoxyphenyl)-4,5-d…

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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)	4.10	11.77	-31.83	1	8	0	87	474.561	7	↓ MOL2 SDF SMILES Flexibase

64977724

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(3,4-dimethylphenyl)p 3-[2-(3,4-dimethoxyphenyl)-4,5-d…

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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)	4.10	11.45	-31.91	1	8	0	87	474.561	7	↓ MOL2 SDF SMILES Flexibase

64977725

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(3,5-dimethylphenyl)p 3-[2-(3,4-dimethoxyphenyl)-4,5-d…

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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)	4.10	11.56	-31.91	1	8	0	87	474.561	7	↓ MOL2 SDF SMILES Flexibase

64977726

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-isopropylphenyl)pr 3-[2-(3,4-dimethoxyphenyl)-4,5-d…

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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	12.19	-32.06	1	8	0	87	488.588	8	↓ MOL2 SDF SMILES Flexibase

64977727

Analogs

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Popular Name: 3-[2-(3,4-dimethoxyphenyl)-4,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-6-yl]-N-phenyl-propanamide 3-[2-(3,4-dimethoxyphenyl)-4,5-d…

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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)	3.27	10.27	-32.33	1	8	0	87	446.507	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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