ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

21536884

Analogs

6914957

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(benzylamino)-1-(m-tolyl)pyrazin-2-one 3-(benzylamino)-1-(m-tolyl)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)	3.04	9.45	-8.69	1	4	0	47	291.354	4	↓ MOL2 SDF SMILES Flexibase

21536891

Analogs

6914977

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-chlorophenyl)methylamino]-1-(m-tolyl)pyrazin-2-one 3-[(4-chlorophenyl)methylamino]-…

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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)	3.71	9.97	-8.54	1	4	0	47	325.799	4	↓ MOL2 SDF SMILES Flexibase

21536906

Analogs

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Popular Name: 3-[(4-methoxyphenyl)methylamino]-1-(p-tolyl)pyrazin-2-one 3-[(4-methoxyphenyl)methylamino]…

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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	8.77	-9.92	1	5	0	56	321.38	5	↓ MOL2 SDF SMILES Flexibase

21536910

Analogs

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Popular Name: 3-[(3-methoxyphenyl)methylamino]-1-(p-tolyl)pyrazin-2-one 3-[(3-methoxyphenyl)methylamino]…

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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	8.77	-10.18	1	5	0	56	321.38	5	↓ MOL2 SDF SMILES Flexibase

21536921

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one 1-(3-chlorophenyl)-3-[(2-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)	3.28	8.68	-10.82	1	5	0	56	341.798	5	↓ MOL2 SDF SMILES Flexibase

21536928

Analogs

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Popular Name: 3-(benzylamino)-1-(4-chlorophenyl)pyrazin-2-one 3-(benzylamino)-1-(4-chloropheny…

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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	9.31	-7.59	1	4	0	47	311.772	4	↓ MOL2 SDF SMILES Flexibase

21536935

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one 1-(4-chlorophenyl)-3-[(2-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)	3.09	8.68	-9.23	1	5	0	56	341.798	5	↓ MOL2 SDF SMILES Flexibase

21536937

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one 1-(4-chlorophenyl)-3-[(4-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)	3.14	8.63	-8.93	1	5	0	56	341.798	5	↓ MOL2 SDF SMILES Flexibase

21536946

Analogs

6915130

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Popular Name: 3-(benzylamino)-1-(3,4-dimethoxyphenyl)pyrazin-2-one 3-(benzylamino)-1-(3,4-dimethoxy…

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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)	2.26	8.03	-10.77	1	6	0	65	337.379	6	↓ MOL2 SDF SMILES Flexibase

21536960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,4-dimethoxyphenyl)methylamino]-1-phenyl-pyrazin-2-one 3-[(3,4-dimethoxyphenyl)methylam…

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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)	2.05	8.02	-12.35	1	6	0	65	337.379	6	↓ MOL2 SDF SMILES Flexibase

21536962

Analogs

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Popular Name: 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)pyrazin-2-one 3-[(3,4-dimethoxyphenyl)methylam…

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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)	2.21	8.09	-11.64	1	6	0	65	355.369	6	↓ MOL2 SDF SMILES Flexibase

21536963

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-one 1-(3-chlorophenyl)-3-[(3,4-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)	2.91	8.54	-11.43	1	6	0	65	371.824	6	↓ MOL2 SDF SMILES Flexibase

21536965

Analogs

10273142

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,4-dimethoxyphenyl)methylamino]-1-(m-tolyl)pyrazin-2-one 3-[(3,4-dimethoxyphenyl)methylam…

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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	8.69	-12.45	1	6	0	65	351.406	6	↓ MOL2 SDF SMILES Flexibase

21536967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]pyrazin-2-one 1-(2,5-dimethylphenyl)-3-[(4-flu…

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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)	3.81	10.62	-9.22	1	4	0	47	323.371	4	↓ MOL2 SDF SMILES Flexibase

21536971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one 1-(2,5-dimethylphenyl)-3-[(2-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)	3.66	9.93	-10.53	1	5	0	56	335.407	5	↓ MOL2 SDF SMILES Flexibase

21536972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one 1-(2,5-dimethylphenyl)-3-[(4-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)	3.71	9.87	-10.02	1	5	0	56	335.407	5	↓ MOL2 SDF SMILES Flexibase

21536974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethylphenyl)-3-(p-tolylmethylamino)pyrazin-2-one 1-(2,5-dimethylphenyl)-3-(p-toly…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.10	11.08	-8.87	1	4	0	47	319.408	4	↓ MOL2 SDF SMILES Flexibase

21536975

Analogs

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Popular Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(4-fluorophenyl)methylamino]pyrazin-2-one 1-(3-chloro-4-fluoro-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	9.43	-9.52	1	4	0	47	347.752	4	↓ MOL2 SDF SMILES Flexibase

21536977

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(benzylamino)-1-(3-chloro-4-fluoro-phenyl)pyrazin-2-one 3-(benzylamino)-1-(3-chloro-4-fl…

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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)	3.38	9.36	-8.87	1	4	0	47	329.762	4	↓ MOL2 SDF SMILES Flexibase

21536978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one 1-(3-chloro-4-fluoro-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	8.73	-8.86	1	5	0	56	359.788	5	↓ MOL2 SDF SMILES Flexibase

21536980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one 1-(3-chloro-4-fluoro-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	8.68	-10.22	1	5	0	56	359.788	5	↓ MOL2 SDF SMILES Flexibase

21536983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one 1-(3-chloro-4-fluoro-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	8.68	-10.53	1	5	0	56	359.788	5	↓ MOL2 SDF SMILES Flexibase

21536985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-chloro-4-fluoro-phenyl)-3-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-one 1-(3-chloro-4-fluoro-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	8.59	-12.68	1	6	0	65	389.814	6	↓ MOL2 SDF SMILES Flexibase

21536987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one 3-[(4-fluorophenyl)methylamino]-…

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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)	3.65	9.88	-10.59	1	4	0	47	363.314	5	↓ MOL2 SDF SMILES Flexibase

21536989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(benzylamino)-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one 3-(benzylamino)-1-[3-(trifluorom…

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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)	3.48	9.81	-10.05	1	4	0	47	345.324	5	↓ MOL2 SDF SMILES Flexibase

21536997

Analogs

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Popular Name: 3-[(2-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one 3-[(2-methoxyphenyl)methylamino]…

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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)	3.49	9.17	-9.72	1	5	0	56	375.35	6	↓ MOL2 SDF SMILES Flexibase

21537004

Analogs

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Popular Name: 3-(p-tolylmethylamino)-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one 3-(p-tolylmethylamino)-1-[3-(tri…

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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)	3.93	10.48	-10.02	1	4	0	47	359.351	5	↓ MOL2 SDF SMILES Flexibase

21537005

Analogs

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Popular Name: 3-[(3-methoxyphenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one 3-[(3-methoxyphenyl)methylamino]…

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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)	3.52	9.13	-11.52	1	5	0	56	375.35	6	↓ MOL2 SDF SMILES Flexibase

21537009

Analogs

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Popular Name: 1-(3-chloro-4-methoxy-phenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one 1-(3-chloro-4-methoxy-phenyl)-3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	7.97	-12.2	1	6	0	65	371.824	6	↓ MOL2 SDF SMILES Flexibase

21537011

Analogs

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Popular Name: 3-(benzylamino)-1-(4-bromo-3-methyl-phenyl)pyrazin-2-one 3-(benzylamino)-1-(4-bromo-3-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)	3.80	10.03	-7.64	1	4	0	47	370.25	4	↓ MOL2 SDF SMILES Flexibase

21537027

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one 1-(3-chloro-4-methyl-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.68	9.31	-9.36	1	5	0	56	355.825	5	↓ MOL2 SDF SMILES Flexibase

21537033

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one 1-(3-chloro-4-methyl-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.70	9.24	-10.76	1	5	0	56	355.825	5	↓ MOL2 SDF SMILES Flexibase

21537036

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-3-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-one 1-(3-chloro-4-methyl-phenyl)-3-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	9.16	-12.67	1	6	0	65	385.851	6	↓ MOL2 SDF SMILES Flexibase

21537052

Analogs

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Popular Name: 3-[(3,4-dimethoxyphenyl)methylamino]-1-(3-fluoro-4-methyl-phenyl)pyrazin-2-one 3-[(3,4-dimethoxyphenyl)methylam…

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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	8.75	-13.37	1	6	0	65	369.396	6	↓ MOL2 SDF SMILES Flexibase

21537054

Analogs

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Popular Name: 3-[(4-fluorophenyl)methylamino]-1-(2-methoxyphenyl)pyrazin-2-one 3-[(4-fluorophenyl)methylamino]-…

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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)	2.78	8.32	-11.39	1	5	0	56	325.343	5	↓ MOL2 SDF SMILES Flexibase

21537056

Analogs

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Popular Name: 3-[(4-chlorophenyl)methylamino]-1-(2-methoxyphenyl)pyrazin-2-one 3-[(4-chlorophenyl)methylamino]-…

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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)	3.30	8.77	-10.93	1	5	0	56	341.798	5	↓ MOL2 SDF SMILES Flexibase

21537058

Analogs

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Popular Name: 1-(2-methoxyphenyl)-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one 1-(2-methoxyphenyl)-3-[(4-methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	7.57	-12.37	1	6	0	65	337.379	6	↓ MOL2 SDF SMILES Flexibase

21537062

Analogs

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Popular Name: 3-[(4-chlorophenyl)methylamino]-1-(4-ethoxyphenyl)pyrazin-2-one 3-[(4-chlorophenyl)methylamino]-…

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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	9.55	-8.79	1	5	0	56	355.825	6	↓ MOL2 SDF SMILES Flexibase

21537065

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one 1-(4-ethoxyphenyl)-3-[(4-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)	2.89	8.35	-10.43	1	6	0	65	351.406	7	↓ MOL2 SDF SMILES Flexibase

21537069

Analogs

10273176

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Popular Name: 1-(4-ethoxyphenyl)-3-(p-tolylmethylamino)pyrazin-2-one 1-(4-ethoxyphenyl)-3-(p-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)	3.28	9.7	-9.11	1	5	0	56	335.407	6	↓ MOL2 SDF SMILES Flexibase

21537071

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one 1-(4-ethoxyphenyl)-3-[(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)	2.87	8.35	-10.35	1	6	0	65	351.406	7	↓ MOL2 SDF SMILES Flexibase

21537073

Analogs

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Popular Name: 3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-ethoxyphenyl)pyrazin-2-one 3-[(3,4-dimethoxyphenyl)methylam…

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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	8.26	-12.43	1	7	0	75	381.432	8	↓ MOL2 SDF SMILES Flexibase

21537075

Analogs

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Popular Name: 3-(benzylamino)-1-(4-bromophenyl)pyrazin-2-one 3-(benzylamino)-1-(4-bromophenyl…

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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)	3.21	9.41	-7.54	1	4	0	47	356.223	4	↓ MOL2 SDF SMILES Flexibase

21537085

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one 1-(3,4-difluorophenyl)-3-[(3-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)	2.90	8.23	-11.35	1	5	0	56	343.333	5	↓ MOL2 SDF SMILES Flexibase

21537089

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[(3,4-dimethoxyphenyl)methylamino]pyrazin-2-one 1-(3,4-difluorophenyl)-3-[(3,4-d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	8.14	-13.5	1	6	0	65	373.359	6	↓ MOL2 SDF SMILES Flexibase

21537101

Analogs

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Popular Name: 3-(benzylamino)-1-(4-isopropylphenyl)pyrazin-2-one 3-(benzylamino)-1-(4-isopropylph…

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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)	3.91	10.73	-8.2	1	4	0	47	319.408	5	↓ MOL2 SDF SMILES Flexibase

21537103

Analogs

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Popular Name: 3-[(2-chlorophenyl)methylamino]-1-(4-isopropylphenyl)pyrazin-2-one 3-[(2-chlorophenyl)methylamino]-…

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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	11.16	-8.97	1	4	0	47	353.853	5	↓ MOL2 SDF SMILES Flexibase

21537107

Analogs

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Popular Name: 1-(4-isopropylphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one 1-(4-isopropylphenyl)-3-[(2-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)	3.92	10.1	-9.9	1	5	0	56	349.434	6	↓ MOL2 SDF SMILES Flexibase

21537108

Analogs

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Popular Name: 1-(4-isopropylphenyl)-3-[(4-methoxyphenyl)methylamino]pyrazin-2-one 1-(4-isopropylphenyl)-3-[(4-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)	3.97	10.04	-9.43	1	5	0	56	349.434	6	↓ MOL2 SDF SMILES Flexibase

21537112

Analogs

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Popular Name: 1-(4-isopropylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one 1-(4-isopropylphenyl)-3-[(3-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)	3.95	10.04	-9.77	1	5	0	56	349.434	6	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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