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ZINC Item

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22722325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-4-(3-fluorophenyl)pyrazine-2,3-dione 1-benzyl-4-(3-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)	2.48	10.53	-17.74	0	4	0	44	296.301	3	↓ MOL2 SDF SMILES Flexibase

22722364

Analogs

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Popular Name: 1-benzyl-4-(2-methoxyphenyl)pyrazine-2,3-dione 1-benzyl-4-(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)	2.35	9.95	-20.72	0	5	0	53	308.337	4	↓ MOL2 SDF SMILES Flexibase

22722391

Analogs

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Popular Name: 1-benzyl-4-(2-ethoxyphenyl)pyrazine-2,3-dione 1-benzyl-4-(2-ethoxyphenyl)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)	2.73	10.88	-20.71	0	5	0	53	322.364	5	↓ MOL2 SDF SMILES Flexibase

22722393

Analogs

21729610

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzyl-4-(2-methoxy-5-methyl-phenyl)pyrazine-2,3-dione 1-benzyl-4-(2-methoxy-5-methyl-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)	2.99	10.63	-20.6	0	5	0	53	322.364	4	↓ MOL2 SDF SMILES Flexibase

22722452

Analogs

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Popular Name: 1-(2-methoxyphenyl)-4-(o-tolylmethyl)pyrazine-2,3-dione 1-(2-methoxyphenyl)-4-(o-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)	2.75	10.96	-19.56	0	5	0	53	322.364	4	↓ MOL2 SDF SMILES Flexibase

22722621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxyphenyl)-4-(p-tolylmethyl)pyrazine-2,3-dione 1-(2-methoxyphenyl)-4-(p-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)	2.80	10.62	-20.65	0	5	0	53	322.364	4	↓ MOL2 SDF SMILES Flexibase

22722734

Analogs

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Popular Name: 1-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]pyrazine-2,3-dione 1-(4-chlorophenyl)-4-[(3-chlorop…

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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)	3.46	11.49	-20.44	0	4	0	44	347.201	3	↓ MOL2 SDF SMILES Flexibase

22722881

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrazine-2,3-dione 1-[(2-fluorophenyl)methyl]-4-(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)	2.47	9.88	-25.07	0	5	0	53	326.327	4	↓ MOL2 SDF SMILES Flexibase

22722887

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione 1-(4-ethoxyphenyl)-4-[(2-fluorop…

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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	10.57	-14.1	0	5	0	53	340.354	5	↓ MOL2 SDF SMILES Flexibase

22722899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-ethoxyphenyl)-4-[(2-fluorophenyl)methyl]pyrazine-2,3-dione 1-(2-ethoxyphenyl)-4-[(2-fluorop…

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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)	2.84	10.8	-25.08	0	5	0	53	340.354	5	↓ MOL2 SDF SMILES Flexibase

22722933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-fluorophenyl)methyl]-4-(p-tolyl)pyrazine-2,3-dione 1-[(3-fluorophenyl)methyl]-4-(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)	2.72	11.2	-22.56	0	4	0	44	310.328	3	↓ MOL2 SDF SMILES Flexibase

22722937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-fluorophenyl)methyl]-4-(o-tolyl)pyrazine-2,3-dione 1-[(3-fluorophenyl)methyl]-4-(o-…

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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)	2.88	11.5	-22.83	0	4	0	44	310.328	3	↓ MOL2 SDF SMILES Flexibase

22722941

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione 1-(4-ethoxyphenyl)-4-[(3-fluorop…

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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	10.78	-22.9	0	5	0	53	340.354	5	↓ MOL2 SDF SMILES Flexibase

22722969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione 1-(3-fluorophenyl)-4-[(4-fluorop…

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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	10.6	-19.09	0	4	0	44	314.291	3	↓ MOL2 SDF SMILES Flexibase

22722996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrazine-2,3-dione 1-[(4-fluorophenyl)methyl]-4-(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)	2.51	10.02	-21.58	0	5	0	53	326.327	4	↓ MOL2 SDF SMILES Flexibase

22723002

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methyl]pyrazine-2,3-dione 1-(4-ethoxyphenyl)-4-[(4-fluorop…

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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	10.78	-20.23	0	5	0	53	340.354	5	↓ MOL2 SDF SMILES Flexibase

22723150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2,5-dimethylphenyl)methyl]-4-phenyl-pyrazine-2,3-dione 1-[(2,5-dimethylphenyl)methyl]-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)	2.96	11.34	-18.24	0	4	0	44	306.365	3	↓ MOL2 SDF SMILES Flexibase

22723453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-chlorophenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(4-chlorophenyl)-2,3-dioxo-…

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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)	1.00	7.74	-21.86	0	5	0	68	261.668	2	↓ MOL2 SDF SMILES Flexibase

22723455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-fluorophenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(3-fluorophenyl)-2,3-dioxo-…

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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)	0.67	7.29	-21.61	0	5	0	68	245.213	2	↓ MOL2 SDF SMILES Flexibase

22723457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-fluorophenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(4-fluorophenyl)-2,3-dioxo-…

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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)	0.48	7.3	-22.31	0	5	0	68	245.213	2	↓ MOL2 SDF SMILES Flexibase

22723459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,3-dioxo-4-phenyl-pyrazin-1-yl)acetonitrile 2-(2,3-dioxo-4-phenyl-pyrazin-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)	0.32	7.22	-22.42	0	5	0	68	227.223	2	↓ MOL2 SDF SMILES Flexibase

22723465

Analogs

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Popular Name: 2-[4-(4-bromo-2-fluoro-phenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(4-bromo-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)	1.43	8.01	-22.68	0	5	0	68	324.109	2	↓ MOL2 SDF SMILES Flexibase

22723467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-fluoro-4-methyl-phenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(3-fluoro-4-methyl-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)	1.07	7.94	-24.67	0	5	0	68	259.24	2	↓ MOL2 SDF SMILES Flexibase

22723469

Analogs

4570054

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Popular Name: 2-[4-(3-chlorophenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(3-chlorophenyl)-2,3-dioxo-…

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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)	1.19	7.75	-21.14	0	5	0	68	261.668	2	↓ MOL2 SDF SMILES Flexibase

22723478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2,3-dioxo-4-(p-tolyl)pyrazin-1-yl]acetonitrile 2-[2,3-dioxo-4-(p-tolyl)pyrazin-…

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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)	0.77	7.89	-22.38	0	5	0	68	241.25	2	↓ MOL2 SDF SMILES Flexibase

22723480

Analogs

4569936

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(o-tolyl)-2,3-dioxo-pyrazin…

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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)	0.93	8.19	-22.16	0	5	0	68	241.25	2	↓ MOL2 SDF SMILES Flexibase

22723482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-chlorophenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(2-chlorophenyl)-2,3-dioxo-…

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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)	1.16	8.01	-22.86	0	5	0	68	261.668	2	↓ MOL2 SDF SMILES Flexibase

22723484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-bromophenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(4-bromophenyl)-2,3-dioxo-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)	1.13	7.84	-21.8	0	5	0	68	306.119	2	↓ MOL2 SDF SMILES Flexibase

22723488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,4-difluorophenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(3,4-difluorophenyl)-2,3-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)	0.79	7.34	-25.06	0	5	0	68	263.203	2	↓ MOL2 SDF SMILES Flexibase

22723491

Analogs

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Popular Name: 2-[4-(2-ethylphenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(2-ethylphenyl)-2,3-dioxo-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)	1.40	8.72	-21.53	0	5	0	68	255.277	3	↓ MOL2 SDF SMILES Flexibase

22723493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-ethylphenyl)-2,3-dioxo-pyrazin-1-yl]acetonitrile 2-[4-(4-ethylphenyl)-2,3-dioxo-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)	1.24	8.66	-22.1	0	5	0	68	255.277	3	↓ MOL2 SDF SMILES Flexibase

22723577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-benzyl-2-[4-(3-fluorophenyl)-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)	1.39	9.15	-23.27	1	6	0	73	353.353	5	↓ MOL2 SDF SMILES Flexibase

22723608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-benzyl-2-[4-(2-methoxyphenyl)-…

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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)	1.26	8.59	-24.84	1	7	0	82	365.389	6	↓ MOL2 SDF SMILES Flexibase

22723610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-benzyl-2-[4-(o-tolyl)-2,3-diox…

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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)	1.65	10.12	-23.1	1	6	0	73	349.39	5	↓ MOL2 SDF SMILES Flexibase

22723614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-benzyl-2-[4-(4-ethoxyphenyl)-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)	1.47	9.38	-22.99	1	7	0	82	379.416	7	↓ MOL2 SDF SMILES Flexibase

22723626

Analogs

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Popular Name: N-benzyl-2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-benzyl-2-[4-(2-ethoxyphenyl)-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)	1.64	9.52	-24.76	1	7	0	82	379.416	7	↓ MOL2 SDF SMILES Flexibase

22723671

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[4-(2-methoxyphenyl)-2,3-dioxo…

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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)	2.43	9.49	-30.28	1	7	0	82	419.359	6	↓ MOL2 SDF SMILES Flexibase

22723673

Analogs

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Popular Name: 2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[4-(o-tolyl)-2,3-dioxo-pyrazin…

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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	11.02	-28.69	1	6	0	73	403.36	5	↓ MOL2 SDF SMILES Flexibase

22723677

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[4-(4-ethoxyphenyl)-2,3-dioxo-…

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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)	2.64	10.19	-29.91	1	7	0	82	433.386	7	↓ MOL2 SDF SMILES Flexibase

22723697

Analogs

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Popular Name: 2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 2-[4-(2-ethoxyphenyl)-2,3-dioxo-…

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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)	2.81	10.41	-30.21	1	7	0	82	433.386	7	↓ MOL2 SDF SMILES Flexibase

22723711

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Popular Name: 2-[4-(3-fluorophenyl)-2,3-dioxo-pyrazin-1-yl]-N-(2-furylmethyl)acetamide 2-[4-(3-fluorophenyl)-2,3-dioxo-…

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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)	0.65	7.29	-23.48	1	7	0	86	343.314	5	↓ MOL2 SDF SMILES Flexibase

22723713

Analogs

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Popular Name: 2-[4-(4-fluorophenyl)-2,3-dioxo-pyrazin-1-yl]-N-(2-furylmethyl)acetamide 2-[4-(4-fluorophenyl)-2,3-dioxo-…

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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)	0.46	7.29	-24.48	1	7	0	86	343.314	5	↓ MOL2 SDF SMILES Flexibase

22723729

Analogs

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Popular Name: 2-[4-(3-chlorophenyl)-2,3-dioxo-pyrazin-1-yl]-N-(2-furylmethyl)acetamide 2-[4-(3-chlorophenyl)-2,3-dioxo-…

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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)	1.16	7.74	-23.22	1	7	0	86	359.769	5	↓ MOL2 SDF SMILES Flexibase

22723743

Analogs

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Popular Name: 2-[2,3-dioxo-4-(p-tolyl)pyrazin-1-yl]-N-(2-furylmethyl)acetamide 2-[2,3-dioxo-4-(p-tolyl)pyrazin-…

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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)	0.75	7.88	-25.17	1	7	0	86	339.351	5	↓ MOL2 SDF SMILES Flexibase

22723745

Analogs

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Popular Name: N-(2-furylmethyl)-2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2-furylmethyl)-2-[4-(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)	0.52	6.72	-26.1	1	8	0	95	355.35	6	↓ MOL2 SDF SMILES Flexibase

22723747

Analogs

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Popular Name: N-(2-furylmethyl)-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2-furylmethyl)-2-[4-(o-tolyl)…

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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)	0.91	8.19	-25.62	1	7	0	86	339.351	5	↓ MOL2 SDF SMILES Flexibase

22723751

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(2-furylmethyl)acetamide 2-[4-(4-ethoxyphenyl)-2,3-dioxo-…

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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)	0.73	7.51	-24.23	1	8	0	95	369.377	7	↓ MOL2 SDF SMILES Flexibase

22723814

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-[(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)	1.89	9.01	-24.17	1	7	0	82	399.834	6	↓ MOL2 SDF SMILES Flexibase

22723816

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-[(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)	2.28	10.54	-22.4	1	6	0	73	383.835	5	↓ MOL2 SDF SMILES Flexibase

22723820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-[(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)	2.10	9.8	-22.26	1	7	0	82	413.861	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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