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ZINC Item

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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

22723999

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(3-methoxyphenyl)-2-[4-(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)	1.59	7.77	-26.78	1	8	0	92	381.388	6	↓ MOL2 SDF SMILES Flexibase

22724001

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(3-methoxyphenyl)-2-[4-(o-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)	1.98	9.31	-28.9	1	7	0	82	365.389	5	↓ MOL2 SDF SMILES Flexibase

22724005

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(3-methoxyphenyl)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)	1.80	8.49	-30.11	1	8	0	92	395.415	7	↓ MOL2 SDF SMILES Flexibase

22724019

Analogs

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Popular Name: 2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(3-methoxyphenyl)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)	1.97	8.71	-30.44	1	8	0	92	395.415	7	↓ MOL2 SDF SMILES Flexibase

22724065

Analogs

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

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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)	2.19	9.12	-23.7	1	7	0	82	385.807	5	↓ MOL2 SDF SMILES Flexibase

22724067

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2-chlorophenyl)-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)	2.58	10.65	-21.96	1	6	0	73	369.808	4	↓ MOL2 SDF SMILES Flexibase

22724071

Analogs

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

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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	9.81	-22.89	1	7	0	82	399.834	6	↓ MOL2 SDF SMILES Flexibase

22724187

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2,4-dimethoxyphenyl)-2-[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)	1.60	7.2	-26.44	1	9	0	101	411.414	7	↓ MOL2 SDF SMILES Flexibase

22724189

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2,4-dimethoxyphenyl)-2-[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)	1.99	8.7	-24.02	1	8	0	92	395.415	6	↓ MOL2 SDF SMILES Flexibase

22724211

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2,4-dimethoxyphenyl)-2-[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)	1.98	8.1	-25.7	1	9	0	101	425.441	8	↓ MOL2 SDF SMILES Flexibase

22724255

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[2-(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)	2.41	9.73	-24.35	1	7	0	82	419.359	6	↓ MOL2 SDF SMILES Flexibase

22724257

Analogs

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Popular Name: 2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]-N-[2-(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)	2.80	11.26	-22.62	1	6	0	73	403.36	5	↓ MOL2 SDF SMILES Flexibase

22724261

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[2-(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)	2.62	10.44	-23.22	1	7	0	82	433.386	7	↓ MOL2 SDF SMILES Flexibase

22724277

Analogs

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Popular Name: 2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-[2-(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)	2.78	10.66	-24.29	1	7	0	82	433.386	7	↓ MOL2 SDF SMILES Flexibase

22724317

Analogs

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Popular Name: N-(2-methoxyphenyl)-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2-methoxyphenyl)-2-[4-(o-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)	1.96	9.42	-23.76	1	7	0	82	365.389	5	↓ MOL2 SDF SMILES Flexibase

22724387

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	10.06	-28.82	1	9	0	109	423.425	8	↓ MOL2 SDF SMILES Flexibase

22724389

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	11.57	-27.44	1	8	0	99	407.426	7	↓ MOL2 SDF SMILES Flexibase

22724393

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.32	10.77	-30.79	1	9	0	109	437.452	9	↓ MOL2 SDF SMILES Flexibase

22724413

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	11	-31.08	1	9	0	109	437.452	9	↓ MOL2 SDF SMILES Flexibase

22724727

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2,5-dimethoxyphenyl)-2-[4-(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)	1.81	7.88	-28.28	1	9	0	101	425.441	8	↓ MOL2 SDF SMILES Flexibase

22724742

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2,5-dimethoxyphenyl)-2-[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)	1.98	8.1	-28.78	1	9	0	101	425.441	8	↓ MOL2 SDF SMILES Flexibase

22724937

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2-ethylphenyl)-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)	2.43	10.15	-26.02	1	7	0	82	379.416	6	↓ MOL2 SDF SMILES Flexibase

22724939

Analogs

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Popular Name: N-(2-ethylphenyl)-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(2-ethylphenyl)-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)	2.82	11.67	-24.52	1	6	0	73	363.417	5	↓ MOL2 SDF SMILES Flexibase

22724943

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(2-ethylphenyl)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	10.9	-24.39	1	7	0	82	393.443	7	↓ MOL2 SDF SMILES Flexibase

22724959

Analogs

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Popular Name: 2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(2-ethylphenyl)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)	2.80	11.08	-25.95	1	7	0	82	393.443	7	↓ MOL2 SDF SMILES Flexibase

22725045

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	10.39	-25.61	1	7	0	82	393.443	6	↓ MOL2 SDF SMILES Flexibase

22725046

Analogs

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

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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	11.94	-24.73	1	6	0	73	377.444	5	↓ MOL2 SDF SMILES Flexibase

22725050

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(4-isopropylphenyl)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)	3.28	11.11	-25.83	1	7	0	82	407.47	7	↓ MOL2 SDF SMILES Flexibase

22725070

Analogs

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Popular Name: 2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(4-isopropylphenyl)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)	3.45	11.34	-26.34	1	7	0	82	407.47	7	↓ MOL2 SDF SMILES Flexibase

22725183

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(4-methoxyphenyl)-2-[4-(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)	1.62	7.76	-27.08	1	8	0	92	381.388	6	↓ MOL2 SDF SMILES Flexibase

22725185

Analogs

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

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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	9.31	-25.81	1	7	0	82	365.389	5	↓ MOL2 SDF SMILES Flexibase

22725189

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(4-methoxyphenyl)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)	1.83	8.48	-26.86	1	8	0	92	395.415	7	↓ MOL2 SDF SMILES Flexibase

22725205

Analogs

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Popular Name: 2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(4-methoxyphenyl)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)	1.99	8.7	-27.29	1	8	0	92	395.415	7	↓ MOL2 SDF SMILES Flexibase

22725245

Analogs

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

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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)	1.72	8.55	-27.21	1	7	0	82	369.352	5	↓ MOL2 SDF SMILES Flexibase

22725247

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(4-fluorophenyl)-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)	2.12	10.08	-25.55	1	6	0	73	353.353	4	↓ MOL2 SDF SMILES Flexibase

22725251

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(4-fluorophenyl)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)	1.94	9.26	-26.62	1	7	0	82	383.379	6	↓ MOL2 SDF SMILES Flexibase

22725380

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(3-chloro-4-methoxy-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)	2.22	8.33	-30.94	1	8	0	92	415.833	6	↓ MOL2 SDF SMILES Flexibase

22725382

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(3-chloro-4-methoxy-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)	2.61	9.86	-29.32	1	7	0	82	399.834	5	↓ MOL2 SDF SMILES Flexibase

22725386

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(3-chloro-4-methoxy-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)	2.43	9.04	-30.57	1	8	0	92	429.86	7	↓ MOL2 SDF SMILES Flexibase

22725398

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(3-chloro-4-methoxy-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)	2.60	9.26	-30.85	1	8	0	92	429.86	7	↓ MOL2 SDF SMILES Flexibase

22725447

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(o-tolyl)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)	1.96	9.37	-26.67	1	7	0	82	365.389	5	↓ MOL2 SDF SMILES Flexibase

22725453

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(o-tolyl)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)	2.17	10.07	-25.22	1	7	0	82	379.416	6	↓ MOL2 SDF SMILES Flexibase

22725469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(o-tolyl)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)	2.34	10.26	-25.77	1	7	0	82	379.416	6	↓ MOL2 SDF SMILES Flexibase

22725509

Analogs

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Popular Name: 2-[4-(2-methoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(m-tolyl)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)	1.98	9.15	-25.91	1	7	0	82	365.389	5	↓ MOL2 SDF SMILES Flexibase

22725511

Analogs

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Popular Name: N-(m-tolyl)-2-[4-(o-tolyl)-2,3-dioxo-pyrazin-1-yl]acetamide N-(m-tolyl)-2-[4-(o-tolyl)-2,3-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)	2.38	10.66	-24.37	1	6	0	73	349.39	4	↓ MOL2 SDF SMILES Flexibase

22725515

Analogs

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Popular Name: 2-[4-(4-ethoxyphenyl)-2,3-dioxo-pyrazin-1-yl]-N-(m-tolyl)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)	2.20	9.86	-26.25	1	7	0	82	379.416	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 115704 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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