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ZINC Item

Suppliers, Protomers, & Similar Substances

65151717

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(3,4-dimethylphenyl)-2-[3-oxo-…

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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)	3.02	12.41	-18.46	1	9	0	88	457.538	5	↓ MOL2 SDF SMILES Flexibase

65151718

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(3,5-dimethylphenyl)-2-[3-oxo-…

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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)	3.02	12.52	-18.34	1	9	0	88	457.538	5	↓ MOL2 SDF SMILES Flexibase

65151719

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(2-ethylphenyl)-2-[3-oxo-8-(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)	3.06	12.86	-18.12	1	9	0	88	457.538	6	↓ MOL2 SDF SMILES Flexibase

65151721

Analogs

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Popular Name: N-(4-butylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(4-butylphenyl)-2-[3-oxo-8-(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)	4.06	14.18	-18.05	1	9	0	88	485.592	8	↓ MOL2 SDF SMILES Flexibase

65151723

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(2,4-dimethylphenyl)-2-[3-oxo-…

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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)	3.02	12.74	-18.83	1	9	0	88	457.538	5	↓ MOL2 SDF SMILES Flexibase

65151724

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(2,5-dimethylphenyl)-2-[3-oxo-…

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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)	3.02	12.7	-18.29	1	9	0	88	457.538	5	↓ MOL2 SDF SMILES Flexibase

65151725

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(3-methoxyphenyl)-2-[3-oxo-8-(…

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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)	2.23	10.48	-18.61	1	10	0	97	459.51	6	↓ MOL2 SDF SMILES Flexibase

65151726

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(4-methoxyphenyl)-2-[3-oxo-8-(…

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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)	2.25	10.48	-19.14	1	10	0	97	459.51	6	↓ MOL2 SDF SMILES Flexibase

65151727

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]aceta N-(2,4-dimethoxyphenyl)-2-[3-oxo…

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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)	2.24	9.9	-18.25	1	11	0	106	489.536	7	↓ MOL2 SDF SMILES Flexibase

65151728

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]aceta N-(3,4-dimethoxyphenyl)-2-[3-oxo…

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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)	1.84	10.38	-21.15	1	11	0	106	489.536	7	↓ MOL2 SDF SMILES Flexibase

65151730

Analogs

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Popular Name: N-(3-methylsulfanylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ac N-(3-methylsulfanylphenyl)-2-[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)	2.60	12.21	-18.1	1	9	0	88	475.578	6	↓ MOL2 SDF SMILES Flexibase

65151731

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(3-acetylphenyl)-2-[3-oxo-8-(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)	2.07	11.59	-26.78	1	10	0	105	471.521	6	↓ MOL2 SDF SMILES Flexibase

65151732

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(4-acetylphenyl)-2-[3-oxo-8-(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)	2.09	11.68	-21	1	10	0	105	471.521	6	↓ MOL2 SDF SMILES Flexibase

65151733

Analogs

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Popular Name: N-(3-cyanophenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(3-cyanophenyl)-2-[3-oxo-8-(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)	1.93	11.57	-22.87	1	10	0	112	454.494	5	↓ MOL2 SDF SMILES Flexibase

65151734

Analogs

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Popular Name: N-(4-cyanophenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(4-cyanophenyl)-2-[3-oxo-8-(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)	1.95	11.58	-20.8	1	10	0	112	454.494	5	↓ MOL2 SDF SMILES Flexibase

65151735

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)	2.37	11.84	-20.82	1	11	0	114	487.52	7	↓ MOL2 SDF SMILES Flexibase

65151736

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(2,4-difluorophenyl)-2-[3-oxo-…

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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)	2.45	11.38	-15.67	1	9	0	88	465.464	5	↓ MOL2 SDF SMILES Flexibase

65151737

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(2-chlorophenyl)-2-[3-oxo-8-(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)	2.83	11.8	-16.06	1	9	0	88	463.929	5	↓ MOL2 SDF SMILES Flexibase

65151738

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(3-chlorophenyl)-2-[3-oxo-8-(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)	2.85	11.7	-19.57	1	9	0	88	463.929	5	↓ MOL2 SDF SMILES Flexibase

65151739

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl] N-(4-chloro-2-fluoro-phenyl)-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)	2.96	11.83	-15.38	1	9	0	88	481.919	5	↓ MOL2 SDF SMILES Flexibase

65151740

Analogs

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Popular Name: 2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[2-(trifluoromethyl)phenyl 2-[3-oxo-8-(4-phenylpiperazin-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)	3.04	12.48	-15.59	1	9	0	88	497.481	6	↓ MOL2 SDF SMILES Flexibase

65151742

Analogs

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Popular Name: 2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl 2-[3-oxo-8-(4-phenylpiperazin-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)	3.07	12.19	-20.8	1	9	0	88	497.481	6	↓ MOL2 SDF SMILES Flexibase

65151744

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl] N-(3-fluoro-4-methyl-phenyl)-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)	2.73	11.89	-17.51	1	9	0	88	461.501	5	↓ MOL2 SDF SMILES Flexibase

65151745

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl] N-(4-fluoro-2-methyl-phenyl)-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)	2.73	12.15	-18.84	1	9	0	88	461.501	5	↓ MOL2 SDF SMILES Flexibase

65151746

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl] N-(3-chloro-2-methyl-phenyl)-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)	3.23	12.47	-17.05	1	9	0	88	477.956	5	↓ MOL2 SDF SMILES Flexibase

65151748

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl] N-(2-chloro-4-methyl-phenyl)-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)	3.25	12.47	-15.87	1	9	0	88	477.956	5	↓ MOL2 SDF SMILES Flexibase

65151751

Analogs

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Popular Name: N-(o-tolyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(o-tolyl)-2-[3-oxo-8-[4-(p-tol…

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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	12.76	-18.73	1	9	0	88	457.538	5	↓ MOL2 SDF SMILES Flexibase

65151752

Analogs

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Popular Name: N-(m-tolyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide N-(m-tolyl)-2-[3-oxo-8-[4-(p-tol…

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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)	3.07	12.54	-18.43	1	9	0	88	457.538	5	↓ MOL2 SDF SMILES Flexibase

65151754

Analogs

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Popular Name: 2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(p-tolyl)acetamide 2-[3-oxo-8-[4-(p-tolyl)piperazin…

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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)	3.09	12.53	-18.33	1	9	0	88	457.538	5	↓ MOL2 SDF SMILES Flexibase

65151755

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(3,4-dimethylphenyl)-2-[3-oxo-…

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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)	3.47	13.08	-18.52	1	9	0	88	471.565	5	↓ MOL2 SDF SMILES Flexibase

65151756

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(3,5-dimethylphenyl)-2-[3-oxo-…

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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)	3.47	13.21	-18.41	1	9	0	88	471.565	5	↓ MOL2 SDF SMILES Flexibase

65151757

Analogs

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Popular Name: 2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,4,6-trimethylphenyl) 2-[3-oxo-8-[4-(p-tolyl)piperazin…

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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)	2.91	14.22	-17.85	1	9	0	88	485.592	5	↓ MOL2 SDF SMILES Flexibase

65151759

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(2-ethylphenyl)-2-[3-oxo-8-[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)	3.51	13.53	-18.07	1	9	0	88	471.565	6	↓ MOL2 SDF SMILES Flexibase

65151760

Analogs

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Popular Name: N-(3-ethylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(3-ethylphenyl)-2-[3-oxo-8-[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)	3.53	13.31	-17.96	1	9	0	88	471.565	6	↓ MOL2 SDF SMILES Flexibase

65151761

Analogs

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Popular Name: N-(4-ethylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(4-ethylphenyl)-2-[3-oxo-8-[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)	3.56	13.3	-18.18	1	9	0	88	471.565	6	↓ MOL2 SDF SMILES Flexibase

65151762

Analogs

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Popular Name: N-(3-isopropylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acet N-(3-isopropylphenyl)-2-[3-oxo-8…

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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)	4.13	13.77	-18.36	1	9	0	88	485.592	6	↓ MOL2 SDF SMILES Flexibase

65151763

Analogs

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Popular Name: N-(4-isopropylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acet N-(4-isopropylphenyl)-2-[3-oxo-8…

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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)	4.16	13.78	-17.99	1	9	0	88	485.592	6	↓ MOL2 SDF SMILES Flexibase

65151766

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,3-dimethylphenyl)-2-[3-oxo-…

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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)	3.44	13.33	-18.97	1	9	0	88	471.565	5	↓ MOL2 SDF SMILES Flexibase

65151767

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]ace N-(2,6-dimethylphenyl)-2-[3-oxo-…

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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)	2.51	13.56	-17.73	1	9	0	88	471.565	5	↓ MOL2 SDF SMILES Flexibase

65151768

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(2-methoxyphenyl)-2-[3-oxo-8-[…

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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)	2.65	11.3	-17.86	1	10	0	97	473.537	6	↓ MOL2 SDF SMILES Flexibase

65151769

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(3-methoxyphenyl)-2-[3-oxo-8-[…

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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	11.15	-21.38	1	10	0	97	473.537	6	↓ MOL2 SDF SMILES Flexibase

65151770

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetam N-(4-methoxyphenyl)-2-[3-oxo-8-[…

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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)	2.70	11.15	-19.18	1	10	0	97	473.537	6	↓ MOL2 SDF SMILES Flexibase

65151772

Analogs

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Popular Name: N-(2-ethoxyphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetami N-(2-ethoxyphenyl)-2-[3-oxo-8-[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)	3.03	12.22	-17.43	1	10	0	97	487.564	7	↓ MOL2 SDF SMILES Flexibase

65151773

Analogs

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Popular Name: N-(4-ethoxyphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetami N-(4-ethoxyphenyl)-2-[3-oxo-8-[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)	3.08	12.08	-19.01	1	10	0	97	487.564	7	↓ MOL2 SDF SMILES Flexibase

65151775

Analogs

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Popular Name: N-(3-methylsulfanylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl N-(3-methylsulfanylphenyl)-2-[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)	3.05	12.89	-20.96	1	9	0	88	489.605	6	↓ MOL2 SDF SMILES Flexibase

65151777

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetami N-(3-acetylphenyl)-2-[3-oxo-8-[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)	2.52	12.25	-26.64	1	10	0	105	485.548	6	↓ MOL2 SDF SMILES Flexibase

65151778

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetami N-(4-acetylphenyl)-2-[3-oxo-8-[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)	2.54	12.25	-20.93	1	10	0	105	485.548	6	↓ MOL2 SDF SMILES Flexibase

65151779

Analogs

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Popular Name: N-(3-cyanophenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(3-cyanophenyl)-2-[3-oxo-8-[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)	2.37	12.25	-22.95	1	10	0	112	468.521	5	↓ MOL2 SDF SMILES Flexibase

65151780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamid N-(4-cyanophenyl)-2-[3-oxo-8-[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)	2.40	12.27	-20.77	1	10	0	112	468.521	5	↓ MOL2 SDF SMILES Flexibase

65151781

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[3-oxo-8-[4-(p-tolyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetami N-(2-fluorophenyl)-2-[3-oxo-8-[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)	2.76	11.98	-16.63	1	9	0	88	461.501	5	↓ MOL2 SDF SMILES Flexibase

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