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ZINC Item

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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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

Draw Identity 99% 90% 80% 70%

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

22724979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-bromo-2-fluoro-phenyl)-2,3-dioxo-pyrazin-1-yl]acetamide 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)	0.38	4.55	-26.08	2	6	0	87	342.124	3	↓ MOL2 SDF SMILES Flexibase

22724981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(5-chloro-2-methoxy-phenyl)-2,3-dioxo-pyrazin-1-yl]acetamide 2-[4-(5-chloro-2-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)	0.35	3.76	-26.85	2	7	0	96	309.709	4	↓ MOL2 SDF SMILES Flexibase

22725003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-Ethoxy-phenyl)-2,3-dioxo-3,4-dihydro-2H-pyrazin-1-yl]-acetamide 2-[4-(2-Ethoxy-phenyl)-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)	-0.14	4.16	-27.41	2	7	0	96	289.291	5	↓ MOL2 SDF SMILES Flexibase

22725940

Analogs

4570046

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-4-isobutyl-pyrazine-2,3-dione 1-(4-chlorophenyl)-4-isobutyl-py…

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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)	2.34	9.19	-15.97	0	4	0	44	278.739	3	↓ MOL2 SDF SMILES Flexibase

22725944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluorophenyl)-4-isobutyl-pyrazine-2,3-dione 1-(3-fluorophenyl)-4-isobutyl-py…

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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)	2.01	8.73	-15.84	0	4	0	44	262.284	3	↓ MOL2 SDF SMILES Flexibase

22725946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-4-isobutyl-pyrazine-2,3-dione 1-(4-fluorophenyl)-4-isobutyl-py…

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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)	1.82	8.74	-16.38	0	4	0	44	262.284	3	↓ MOL2 SDF SMILES Flexibase

22725978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isobutyl-4-(o-tolyl)pyrazine-2,3-dione 1-isobutyl-4-(o-tolyl)pyrazine-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)	2.27	9.67	-16.92	0	4	0	44	258.321	3	↓ MOL2 SDF SMILES Flexibase

22725980

Analogs

4570046

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-4-isobutyl-pyrazine-2,3-dione 1-(2-chlorophenyl)-4-isobutyl-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	9.49	-17.14	0	4	0	44	278.739	3	↓ MOL2 SDF SMILES Flexibase

22725982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethoxyphenyl)-4-isobutyl-pyrazine-2,3-dione 1-(4-ethoxyphenyl)-4-isobutyl-py…

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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	8.93	-16.93	0	5	0	53	288.347	5	↓ MOL2 SDF SMILES Flexibase

22725988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-difluorophenyl)-4-isobutyl-pyrazine-2,3-dione 1-(3,4-difluorophenyl)-4-isobuty…

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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)	2.13	8.79	-18.64	0	4	0	44	280.274	3	↓ MOL2 SDF SMILES Flexibase

22726071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-4-(4-fluorophenyl)pyrazine-2,3-dione 1-allyl-4-(4-fluorophenyl)pyrazi…

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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)	1.34	8.09	-16.65	0	4	0	44	246.241	3	↓ MOL2 SDF SMILES Flexibase

22726081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-4-(4-bromo-2-fluoro-phenyl)pyrazine-2,3-dione 1-allyl-4-(4-bromo-2-fluoro-phen…

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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)	2.29	8.82	-16.93	0	4	0	44	325.137	3	↓ MOL2 SDF SMILES Flexibase

22726085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-4-(3-fluoro-4-methyl-phenyl)pyrazine-2,3-dione 1-allyl-4-(3-fluoro-4-methyl-phe…

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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	8.74	-18.31	0	4	0	44	260.268	3	↓ MOL2 SDF SMILES Flexibase

22726087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-4-(5-chloro-2-methoxy-phenyl)pyrazine-2,3-dione 1-allyl-4-(5-chloro-2-methoxy-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)	2.27	8.04	-18.34	0	5	0	53	292.722	4	↓ MOL2 SDF SMILES Flexibase

22726103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-4-(o-tolyl)pyrazine-2,3-dione 1-allyl-4-(o-tolyl)pyrazine-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)	1.79	8.99	-16.77	0	4	0	44	242.278	3	↓ MOL2 SDF SMILES Flexibase

22726105

Analogs

4570054

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-4-(2-chlorophenyl)pyrazine-2,3-dione 1-allyl-4-(2-chlorophenyl)pyrazi…

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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)	2.02	8.83	-17.63	0	4	0	44	262.696	3	↓ MOL2 SDF SMILES Flexibase

22726107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-4-(4-bromophenyl)pyrazine-2,3-dione 1-allyl-4-(4-bromophenyl)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)	1.99	8.65	-16.12	0	4	0	44	307.147	3	↓ MOL2 SDF SMILES Flexibase

22726111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione 1-allyl-4-(3,4-difluorophenyl)py…

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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	8.14	-18.44	0	4	0	44	264.231	3	↓ MOL2 SDF SMILES Flexibase

22726125

Analogs

21729610

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-4-(2-methoxy-5-methyl-phenyl)pyrazine-2,3-dione 1-allyl-4-(2-methoxy-5-methyl-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)	2.04	8.19	-19.13	0	5	0	53	272.304	4	↓ MOL2 SDF SMILES Flexibase

4169824

Analogs

4570054
21729614

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chlorophenyl)-1,4-dihydro-2,3-pyrazinedione 1-(3-chlorophenyl)-1,4-dihydro-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)	1.33	5.19	-15.2	1	4	0	55	222.631	1	↓ MOL2 SDF SMILES Flexibase

4169854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-phenyl-1,4-dihydropyrazine-2,3-dione 1-phenyl-1,4-dihydropyrazine-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)	0.47	4.67	-16.41	1	4	0	55	188.186	1	↓ MOL2 SDF SMILES Flexibase

67172739

Analogs

44845982

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Popular Name: 1-(2,6-dimethylphenyl)-3-hydroxypyrazin-2(1H)-one 1-(2,6-dimethylphenyl)-3-hydroxy…

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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)	1.69	6.6	-16.83	1	4	0	55	216.24	1	↓ MOL2 SDF SMILES Flexibase

67255915

Analogs

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Popular Name: N-butyl-2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-butyl-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)	1.51	7.88	-23.37	1	7	0	82	345.399	8	↓ MOL2 SDF SMILES Flexibase

67255942

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(2-methoxyethyl)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)	0.06	5.45	-22.74	1	8	0	92	347.371	8	↓ MOL2 SDF SMILES Flexibase

67255946

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[(1R)-1-methylpropyl]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)	1.28	8.12	-23.42	1	7	0	82	345.399	7	↓ MOL2 SDF SMILES Flexibase

67255949

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[(1S)-1-methylpropyl]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)	1.28	8.12	-23.39	1	7	0	82	345.399	7	↓ MOL2 SDF SMILES Flexibase

67255956

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-isopentyl-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)	1.73	8.42	-23.19	1	7	0	82	359.426	8	↓ MOL2 SDF SMILES Flexibase

67255962

Analogs

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Popular Name: N-butyl-2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-ethyl-acetamide N-butyl-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)	2.13	10.88	-23.05	0	7	0	74	373.453	9	↓ MOL2 SDF SMILES Flexibase

67255970

Analogs

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Popular Name: N-butyl-2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-methyl-acetamide N-butyl-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)	1.76	9.97	-23.98	0	7	0	74	359.426	8	↓ MOL2 SDF SMILES Flexibase

67256071

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-isopropyl-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)	0.75	7.19	-23.25	1	7	0	82	331.372	6	↓ MOL2 SDF SMILES Flexibase

67256133

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-propyl-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)	0.95	7.11	-23.5	1	7	0	82	331.372	7	↓ MOL2 SDF SMILES Flexibase

67256227

Analogs

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

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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)	0.86	8.58	-24.72	0	7	0	74	331.372	6	↓ MOL2 SDF SMILES Flexibase

67256279

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[(1R)-1-methylpropyl]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)	1.07	7.36	-25.13	1	7	0	82	331.372	6	↓ MOL2 SDF SMILES Flexibase

67256281

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[(1S)-1-methylpropyl]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)	1.07	7.36	-25.13	1	7	0	82	331.372	6	↓ MOL2 SDF SMILES Flexibase

67256384

Analogs

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

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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)	0.54	6.39	-25.48	1	7	0	82	317.345	5	↓ MOL2 SDF SMILES Flexibase

67256443

Analogs

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

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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)	1.05	6.88	-24.52	1	7	0	82	331.372	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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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