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49407653

Analogs

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Popular Name: 1-phenyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazine-2,3-dione 1-phenyl-4-[(3-phenyl-1,2,4-oxad…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	8.99	-22.45	0	7	0	83	346.346	4	↓ MOL2 SDF SMILES Flexibase

49407656

Analogs

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Popular Name: 1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-pyrazine-2,3-dione 1-[[3-(3-methoxyphenyl)-1,2,4-ox…

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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	8.3	-24.89	0	8	0	92	376.372	5	↓ MOL2 SDF SMILES Flexibase

49407659

Analogs

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Popular Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-pyrazine-2,3-dione 1-[[3-(4-methoxyphenyl)-1,2,4-ox…

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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)	2.30	8.29	-22.35	0	8	0	92	376.372	5	↓ MOL2 SDF SMILES Flexibase

49407662

Analogs

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Popular Name: 1-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-pyrazine-2,3-dione 1-[[3-(3-ethoxyphenyl)-1,2,4-oxa…

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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	9.22	-24.72	0	8	0	92	390.399	6	↓ MOL2 SDF SMILES Flexibase

49407665

Analogs

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Popular Name: 1-phenyl-4-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-phenyl-4-[[3-(3,4,5-trimethoxy…

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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)	1.87	8.16	-24.67	0	10	0	111	436.424	7	↓ MOL2 SDF SMILES Flexibase

49407672

Analogs

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Popular Name: 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-pyrazine-2,3-dione 1-[[3-(3-fluorophenyl)-1,2,4-oxa…

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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	9.07	-21.77	0	7	0	83	364.336	4	↓ MOL2 SDF SMILES Flexibase

49407675

Analogs

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Popular Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-pyrazine-2,3-dione 1-[[3-(4-chlorophenyl)-1,2,4-oxa…

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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)	2.92	9.52	-20.63	0	7	0	83	380.791	4	↓ MOL2 SDF SMILES Flexibase

49407678

Analogs

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Popular Name: 1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-pyrazine-2,3-dione 1-[[3-(3-bromophenyl)-1,2,4-oxad…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.02	9.61	-21.28	0	7	0	83	425.242	4	↓ MOL2 SDF SMILES Flexibase

49407681

Analogs

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Popular Name: 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-pyrazine-2,3-dione 1-[[3-(4-bromophenyl)-1,2,4-oxad…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.05	9.62	-20.6	0	7	0	83	425.242	4	↓ MOL2 SDF SMILES Flexibase

49407683

Analogs

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Popular Name: 1-[[3-(3-chloro-4-fluoro-phenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-pyrazine-2,3-dione 1-[[3-(3-chloro-4-fluoro-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)	3.01	9.55	-20.4	0	7	0	83	398.781	4	↓ MOL2 SDF SMILES Flexibase

49407686

Analogs

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Popular Name: 1-phenyl-4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-phenyl-4-[[3-[3-(trifluorometh…

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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)	3.11	10	-21.62	0	7	0	83	414.343	5	↓ MOL2 SDF SMILES Flexibase

49407695

Analogs

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Popular Name: 1-(4-chlorophenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(4-chlorophenyl)-4-[[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)	2.95	8.82	-24.05	0	8	0	92	410.817	5	↓ MOL2 SDF SMILES Flexibase

49407707

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-4-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(3,5-dimethylphenyl)-4-[[3-(m-…

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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	10.98	-22.44	0	7	0	83	388.427	4	↓ MOL2 SDF SMILES Flexibase

49407710

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(3,5-dimethylphenyl)-4-[[3-(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)	3.94	10.99	-22.15	0	7	0	83	388.427	4	↓ MOL2 SDF SMILES Flexibase

49407713

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-4-[[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(3,5-dimethylphenyl)-4-[[3-(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)	4.31	11.47	-22.22	0	7	0	83	402.454	4	↓ MOL2 SDF SMILES Flexibase

49407716

Analogs

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Popular Name: 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione 1-[[3-(4-tert-butylphenyl)-1,2,4…

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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)	5.19	12.64	-21.45	0	7	0	83	430.508	5	↓ MOL2 SDF SMILES Flexibase

49407719

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(3,5-dimethylphenyl)-4-[[3-(4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.54	9.62	-22.54	0	8	0	92	404.426	5	↓ MOL2 SDF SMILES Flexibase

49407722

Analogs

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Popular Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione 1-[[3-(3,4-dimethoxyphenyl)-1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	9.54	-23.91	0	9	0	101	434.452	6	↓ MOL2 SDF SMILES Flexibase

49407725

Analogs

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Popular Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione 1-[[3-(4-chlorophenyl)-1,2,4-oxa…

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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)	4.17	10.83	-20.6	0	7	0	83	408.845	4	↓ MOL2 SDF SMILES Flexibase

49407731

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-4-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(2,5-dimethylphenyl)-4-[[3-(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)	3.89	11.15	-21.89	0	7	0	83	388.427	4	↓ MOL2 SDF SMILES Flexibase

49407734

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-4-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(2,5-dimethylphenyl)-4-[[3-(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)	4.31	11.85	-22.37	0	7	0	83	402.454	4	↓ MOL2 SDF SMILES Flexibase

49407737

Analogs

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Popular Name: 1-(o-tolyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazine-2,3-dione 1-(o-tolyl)-4-[(3-phenyl-1,2,4-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)	2.85	10	-22.07	0	7	0	83	360.373	4	↓ MOL2 SDF SMILES Flexibase

49407740

Analogs

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Popular Name: 1-(o-tolyl)-4-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(o-tolyl)-4-[[3-(o-tolyl)-1,2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.25	10.5	-22.79	0	7	0	83	374.4	4	↓ MOL2 SDF SMILES Flexibase

49407743

Analogs

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Popular Name: 1-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(o-tolyl)pyrazine-2,3-dione 1-[[3-(3,4-dimethylphenyl)-1,2,4…

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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)	3.68	11.2	-22.1	0	7	0	83	388.427	4	↓ MOL2 SDF SMILES Flexibase

49407747

Analogs

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Popular Name: 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(o-tolyl)pyrazine-2,3-dione 1-[[3-(4-tert-butylphenyl)-1,2,4…

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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)	4.56	12.32	-21.2	0	7	0	83	416.481	5	↓ MOL2 SDF SMILES Flexibase

49407750

Analogs

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Popular Name: 1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(o-tolyl)pyrazine-2,3-dione 1-[[3-(3-methoxyphenyl)-1,2,4-ox…

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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	9.29	-23.13	0	8	0	92	390.399	5	↓ MOL2 SDF SMILES Flexibase

49407753

Analogs

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Popular Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(o-tolyl)pyrazine-2,3-dione 1-[[3-(3,4-dimethoxyphenyl)-1,2,…

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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)	2.50	9.22	-23.63	0	9	0	101	420.425	6	↓ MOL2 SDF SMILES Flexibase

49407756

Analogs

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Popular Name: 1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(o-tolyl)pyrazine-2,3-dione 1-[[3-(4-bromophenyl)-1,2,4-oxad…

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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	10.62	-20.21	0	7	0	83	439.269	4	↓ MOL2 SDF SMILES Flexibase

49407762

Analogs

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Popular Name: 1-(2-methoxyphenyl)-4-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(2-methoxyphenyl)-4-[[3-(o-tol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	8.98	-24.31	0	8	0	92	390.399	5	↓ MOL2 SDF SMILES Flexibase

49407765

Analogs

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Popular Name: 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(2-methoxyphenyl)pyrazine-2,3-dione 1-[[3-(4-tert-butylphenyl)-1,2,4…

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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)	4.17	10.78	-23.42	0	8	0	92	432.48	6	↓ MOL2 SDF SMILES Flexibase

49407768

Analogs

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Popular Name: 1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(2-methoxyphenyl)-4-[[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)	2.49	7.76	-26.58	0	9	0	101	406.398	6	↓ MOL2 SDF SMILES Flexibase

49407771

Analogs

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Popular Name: 1-(2-methoxyphenyl)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(2-methoxyphenyl)-4-[[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)	2.52	7.77	-24.08	0	9	0	101	406.398	6	↓ MOL2 SDF SMILES Flexibase

49407774

Analogs

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Popular Name: 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(2-methoxyphenyl)pyrazine-2,3-dione 1-[[3-(3-fluorophenyl)-1,2,4-oxa…

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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	8.53	-22.93	0	8	0	92	394.362	5	↓ MOL2 SDF SMILES Flexibase

49407777

Analogs

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Popular Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(2-methoxyphenyl)pyrazine-2,3-dione 1-[[3-(4-chlorophenyl)-1,2,4-oxa…

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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	8.98	-21.89	0	8	0	92	410.817	5	↓ MOL2 SDF SMILES Flexibase

49407783

Analogs

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Popular Name: 1-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(2-ethoxyphenyl)pyrazine-2,3-dione 1-[[3-(3,4-dimethylphenyl)-1,2,4…

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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)	3.66	10.59	-23.6	0	8	0	92	418.453	6	↓ MOL2 SDF SMILES Flexibase

49407786

Analogs

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Popular Name: 1-(2-ethoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(2-ethoxyphenyl)-4-[[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)	2.87	8.68	-24.54	0	9	0	101	420.425	7	↓ MOL2 SDF SMILES Flexibase

49407789

Analogs

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Popular Name: 1-(2-ethoxyphenyl)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(2-ethoxyphenyl)-4-[[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)	2.89	8.7	-23.63	0	9	0	101	420.425	7	↓ MOL2 SDF SMILES Flexibase

49407792

Analogs

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Popular Name: 1-(2-ethoxyphenyl)-4-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazine-2,3-dione 1-(2-ethoxyphenyl)-4-[[3-(3-fluo…

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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)	2.98	9.45	-22.78	0	8	0	92	408.389	6	↓ MOL2 SDF SMILES Flexibase

49407795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(2-ethoxyphenyl)pyrazine-2,3-dione 1-[[3-(4-chlorophenyl)-1,2,4-oxa…

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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	9.91	-21.74	0	8	0	92	424.844	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 563890
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 563890 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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