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ZINC Item

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59614268

Analogs

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Popular Name: 2-[(3R)-3-(tert-butoxycarbonylamino)-1-piperidyl]-3-[(2-chlorophenyl)methyl]-4-oxo-5H-pyrazolo[1,5-a 2-[(3R)-3-(tert-butoxycarbonylam…

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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	9.37	-47.83	2	10	-1	132	500.963	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.61	10.03	-43.62	3	10	0	133	501.971	7	↓ MOL2 SDF SMILES Flexibase

59614271

Analogs

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Popular Name: 2-[(3S)-3-(tert-butoxycarbonylamino)-1-piperidyl]-3-[(2-chlorophenyl)methyl]-4-oxo-5H-pyrazolo[1,5-a 2-[(3S)-3-(tert-butoxycarbonylam…

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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	9.37	-47.84	2	10	-1	132	500.963	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.61	10.04	-43.15	3	10	0	133	501.971	7	↓ MOL2 SDF SMILES Flexibase

59614286

Analogs

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Popular Name: [(3S)-1-[3-[(2-chlorophenyl)methyl]-6-ethyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl]-3-piperidyl]carbam [(3S)-1-[3-[(2-chlorophenyl)meth…

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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	7.95	-57.82	2	8	-1	106	428.9	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.79	8.72	-50.15	3	8	0	107	429.908	5	↓ MOL2 SDF SMILES Flexibase

59614291

Analogs

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Popular Name: [(3R)-1-[3-[(2-chlorophenyl)methyl]-6-ethyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl]-3-piperidyl]carbam [(3R)-1-[3-[(2-chlorophenyl)meth…

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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	7.97	-57.96	2	8	-1	106	428.9	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.79	8.73	-49	3	8	0	107	429.908	5	↓ MOL2 SDF SMILES Flexibase

59614312

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)	7.94	15.7	-16.2	1	10	0	107	624.113	10	↓ MOL2 SDF SMILES Flexibase

59614315

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)	7.94	15.7	-16.25	1	10	0	107	624.113	10	↓ MOL2 SDF SMILES Flexibase

59614317

Analogs

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Popular Name: 2-amino-3-[(2-chloro-5-fluoro-phenyl)methyl]-5-methyl-pyrazolo[1,5-a]pyrazin-4-one 2-amino-3-[(2-chloro-5-fluoro-ph…

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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)	3.32	7.02	-11.98	2	5	0	65	306.728	2	↓ MOL2 SDF SMILES Flexibase

59614325

Analogs

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Popular Name: [(3S)-1-[3-[(2-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl]-3-piperidyl]c [(3S)-1-[3-[(2-chlorophenyl)meth…

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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	7.72	-59.48	2	8	-1	106	428.9	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.44	8.52	-50.24	3	8	0	107	429.908	4	↓ MOL2 SDF SMILES Flexibase

59614329

Analogs

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Popular Name: [(3R)-1-[3-[(2-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-5H-pyrazolo[1,5-a]pyrazin-2-yl]-3-piperidyl]c [(3R)-1-[3-[(2-chlorophenyl)meth…

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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	7.74	-59.57	2	8	-1	106	428.9	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.44	8.51	-49.23	3	8	0	107	429.908	4	↓ MOL2 SDF SMILES Flexibase

59614332

Analogs

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Popular Name: 2-[(3R)-3-(tert-butoxycarbonylamino)-1-piperidyl]-3-[(2-chloro-5-fluoro-phenyl)methyl]-4-oxo-5H-pyra 2-[(3R)-3-(tert-butoxycarbonylam…

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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)	5.75	9.44	-45.63	2	10	-1	132	518.953	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.75	10.11	-47.3	3	10	0	133	519.961	7	↓ MOL2 SDF SMILES Flexibase

59614336

Analogs

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Popular Name: 2-[(3S)-3-(tert-butoxycarbonylamino)-1-piperidyl]-3-[(2-chloro-5-fluoro-phenyl)methyl]-4-oxo-5H-pyra 2-[(3S)-3-(tert-butoxycarbonylam…

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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)	5.75	9.45	-45.59	2	10	-1	132	518.953	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.75	10.11	-46.54	3	10	0	133	519.961	7	↓ MOL2 SDF SMILES Flexibase

59614339

Analogs

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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)	6.88	11.13	-13.78	1	10	0	107	530.025	8	↓ MOL2 SDF SMILES Flexibase

59614342

Analogs

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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)	6.88	11.11	-13.87	1	10	0	107	530.025	8	↓ MOL2 SDF SMILES Flexibase

64542800

Analogs

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Popular Name: 3-(hydroxymethyl)-5-methyl-2-(p-tolyl)pyrazolo[1,5-a]pyrazin-4-one 3-(hydroxymethyl)-5-methyl-2-(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)	2.44	4.75	-16.27	1	5	0	60	269.304	2	↓ MOL2 SDF SMILES Flexibase

64977337

Analogs

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Popular Name: 5-[[2-(4-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[[2-(4-ethoxyphenyl)-5-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)	5.43	9.68	-15.51	0	8	0	84	456.502	7	↓ MOL2 SDF SMILES Flexibase

64977340

Analogs

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Popular Name: 5-[[2-(4-isopropoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4- 5-[[2-(4-isopropoxyphenyl)-5-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)	5.80	10.23	-25.01	0	8	0	84	470.529	7	↓ MOL2 SDF SMILES Flexibase

64977341

Analogs

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Popular Name: 5-[[2-(2,3-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4 5-[[2-(2,3-dimethoxyphenyl)-5-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)	4.82	9.38	-28.04	0	9	0	93	472.501	7	↓ MOL2 SDF SMILES Flexibase

64977342

Analogs

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Popular Name: 5-[[2-(4-ethoxy-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyr 5-[[2-(4-ethoxy-3-methoxy-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)	5.02	9.59	-17.76	0	9	0	93	486.528	8	↓ MOL2 SDF SMILES Flexibase

64977343

Analogs

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Popular Name: 5-[[2-(2-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[[2-(2-ethoxyphenyl)-5-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)	5.39	10.55	-18.03	0	8	0	84	456.502	7	↓ MOL2 SDF SMILES Flexibase

64977348

Analogs

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Popular Name: 5-[(2-chlorophenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(2-chlorophenyl)methyl]-2-(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)	4.96	10.39	-12.23	0	5	0	49	365.82	4	↓ MOL2 SDF SMILES Flexibase

64977349

Analogs

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Popular Name: 5-benzyl-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-benzyl-2-(2-methoxyphenyl)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)	4.33	10.26	-17.27	0	5	0	49	331.375	4	↓ MOL2 SDF SMILES Flexibase

64977350

Analogs

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Popular Name: 5-[(2,4-dimethylphenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(2,4-dimethylphenyl)methyl]-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)	5.16	11.85	-16.37	0	5	0	49	359.429	4	↓ MOL2 SDF SMILES Flexibase

64977351

Analogs

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Popular Name: 5-[(3-chlorophenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(3-chlorophenyl)methyl]-2-(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)	4.99	10.77	-15.7	0	5	0	49	365.82	4	↓ MOL2 SDF SMILES Flexibase

64977352

Analogs

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Popular Name: 5-[(2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(2,5-dimethylphenyl)methyl]-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)	5.16	11.12	-16.5	0	5	0	49	359.429	4	↓ MOL2 SDF SMILES Flexibase

64977353

Analogs

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Popular Name: 2-(2-methoxyphenyl)-5-(m-tolylmethyl)pyrazolo[1,5-a]pyrazin-4-one 2-(2-methoxyphenyl)-5-(m-tolylme…

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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)	4.76	10.92	-17.29	0	5	0	49	345.402	4	↓ MOL2 SDF SMILES Flexibase

64977354

Analogs

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Popular Name: 5-[(3-fluorophenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(3-fluorophenyl)methyl]-2-(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)	4.47	10.33	-16.18	0	5	0	49	349.365	4	↓ MOL2 SDF SMILES Flexibase

64977355

Analogs

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Popular Name: 5-[(4-fluorophenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(4-fluorophenyl)methyl]-2-(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)	4.50	10.33	-18.65	0	5	0	49	349.365	4	↓ MOL2 SDF SMILES Flexibase

64977356

Analogs

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Popular Name: 5-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(4-chlorophenyl)methyl]-2-(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)	5.01	10.78	-17.85	0	5	0	49	365.82	4	↓ MOL2 SDF SMILES Flexibase

64977394

Analogs

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Popular Name: 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4 5-[[2-(2,4-dimethoxyphenyl)-5-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)	5.09	8.57	-25.15	0	9	0	93	472.501	7	↓ MOL2 SDF SMILES Flexibase

64977396

Analogs

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Popular Name: 5-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(2-chlorophenyl)methyl]-2-(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)	5.01	10.11	-10.45	0	5	0	49	365.82	4	↓ MOL2 SDF SMILES Flexibase

64977397

Analogs

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Popular Name: 5-benzyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-benzyl-2-(4-methoxyphenyl)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)	4.38	9.97	-15.61	0	5	0	49	331.375	4	↓ MOL2 SDF SMILES Flexibase

64977398

Analogs

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Popular Name: 5-[(2,4-dimethylphenyl)methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(2,4-dimethylphenyl)methyl]-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)	5.21	11.56	-14.7	0	5	0	49	359.429	4	↓ MOL2 SDF SMILES Flexibase

64977399

Analogs

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Popular Name: 5-[(3-chlorophenyl)methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(3-chlorophenyl)methyl]-2-(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)	5.04	10.49	-14.07	0	5	0	49	365.82	4	↓ MOL2 SDF SMILES Flexibase

64977400

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Popular Name: 5-[(2,5-dimethylphenyl)methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(2,5-dimethylphenyl)methyl]-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)	5.21	10.84	-14.85	0	5	0	49	359.429	4	↓ MOL2 SDF SMILES Flexibase

64977401

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Popular Name: 2-(4-methoxyphenyl)-5-(m-tolylmethyl)pyrazolo[1,5-a]pyrazin-4-one 2-(4-methoxyphenyl)-5-(m-tolylme…

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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	10.64	-15.61	0	5	0	49	345.402	4	↓ MOL2 SDF SMILES Flexibase

64977402

Analogs

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Popular Name: 2-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one 2-(4-methoxyphenyl)-5-[(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)	4.41	9.27	-15.07	0	6	0	58	361.401	5	↓ MOL2 SDF SMILES Flexibase

64977403

Analogs

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Popular Name: 5-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(3-fluorophenyl)methyl]-2-(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)	4.52	10.05	-14.5	0	5	0	49	349.365	4	↓ MOL2 SDF SMILES Flexibase

64977404

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Popular Name: 5-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(4-fluorophenyl)methyl]-2-(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)	4.54	10.05	-17.03	0	5	0	49	349.365	4	↓ MOL2 SDF SMILES Flexibase

64977405

Analogs

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Popular Name: 5-[(4-chlorophenyl)methyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(4-chlorophenyl)methyl]-2-(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)	5.06	10.5	-16.27	0	5	0	49	365.82	4	↓ MOL2 SDF SMILES Flexibase

64977408

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Popular Name: 2-(4-chlorophenyl)-5-[[2-(2,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4- 2-(4-chlorophenyl)-5-[[2-(2,4-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)	5.71	9.8	-23.28	0	8	0	84	476.92	6	↓ MOL2 SDF SMILES Flexibase

64977410

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Popular Name: 5-benzyl-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-one 5-benzyl-2-(4-chlorophenyl)pyraz…

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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	11.2	-13.86	0	4	0	39	335.794	3	↓ MOL2 SDF SMILES Flexibase

64977411

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Popular Name: 2-(4-chlorophenyl)-5-[(2,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one 2-(4-chlorophenyl)-5-[(2,5-dimet…

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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)	5.83	12.07	-13.17	0	4	0	39	363.848	3	↓ MOL2 SDF SMILES Flexibase

64977412

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Popular Name: 2-(4-chlorophenyl)-5-(m-tolylmethyl)pyrazolo[1,5-a]pyrazin-4-one 2-(4-chlorophenyl)-5-(m-tolylmet…

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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)	5.43	11.87	-13.91	0	4	0	39	349.821	3	↓ MOL2 SDF SMILES Flexibase

64977413

Analogs

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Popular Name: 2-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one 2-(4-chlorophenyl)-5-[(3-methoxy…

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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)	5.04	10.51	-17.41	0	5	0	49	365.82	4	↓ MOL2 SDF SMILES Flexibase

64977419

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Popular Name: 5-[[2-(2,3-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4- 5-[[2-(2,3-dimethoxyphenyl)-5-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)	4.98	9.87	-24.92	0	8	0	84	460.465	6	↓ MOL2 SDF SMILES Flexibase

64977420

Analogs

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Popular Name: 5-[[2-(4-ethoxy-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyra 5-[[2-(4-ethoxy-3-methoxy-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)	5.18	10.08	-14.91	0	8	0	84	474.492	7	↓ MOL2 SDF SMILES Flexibase

64977424

Analogs

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Popular Name: 2-(4-fluorophenyl)-5-[[5-methyl-2-(3,4,5-trimethoxyphenyl)oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin- 2-(4-fluorophenyl)-5-[[5-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)	4.79	9.01	-24.85	0	9	0	93	490.491	7	↓ MOL2 SDF SMILES Flexibase

64977426

Analogs

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Popular Name: 5-[[2-(2,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4- 5-[[2-(2,4-dimethoxyphenyl)-5-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	9.35	-23.64	0	8	0	84	460.465	6	↓ MOL2 SDF SMILES Flexibase

64977428

Analogs

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Popular Name: 5-[(2-chlorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one 5-[(2-chlorophenyl)methyl]-2-(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)	5.12	10.89	-9.18	0	4	0	39	353.784	3	↓ MOL2 SDF SMILES Flexibase

64977429

Analogs

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Popular Name: 5-benzyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one 5-benzyl-2-(4-fluorophenyl)pyraz…

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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	10.75	-14.23	0	4	0	39	319.339	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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