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ZINC Item

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6728370

Analogs

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Popular Name: 1-(5-methylpyrazin-2-yl)carbonyl-N-pentyl-piperidine-3-carboxamide 1-(5-methylpyrazin-2-yl)carbonyl…

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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)	1.95	-2.2	-10.68	1	6	0	75	318.421	6	↓ MOL2 SDF SMILES Flexibase

6728372

Analogs

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Popular Name: 1-(5-methylpyrazin-2-yl)carbonyl-N-pentyl-piperidine-3-carboxamide 1-(5-methylpyrazin-2-yl)carbonyl…

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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)	1.95	-2.2	-10.77	1	6	0	75	318.421	6	↓ MOL2 SDF SMILES Flexibase

62842010

Analogs

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Popular Name: 4-methyl-1-(5-methylpyrazine-2-carbonyl)piperidine-4-carboxylic 4-methyl-1-(5-methylpyrazine-2-c…

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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)	0.39	5.06	-51.54	0	6	-1	86	262.289	2	↓ MOL2 SDF SMILES Flexibase

62842038

Analogs

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Popular Name: 4-methyl-1-(pyrazine-2-carbonyl)piperidine-4-carboxylic 4-methyl-1-(pyrazine-2-carbonyl)…

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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)	0.17	4.43	-51.5	0	6	-1	86	248.262	2	↓ MOL2 SDF SMILES Flexibase

62844530

Analogs

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Popular Name: 4-ethyl-1-(5-methylpyrazine-2-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(5-methylpyrazine-2-ca…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.73	5.52	-50.23	0	6	-1	86	276.316	3	↓ MOL2 SDF SMILES Flexibase

62844558

Analogs

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Popular Name: 4-ethyl-1-(pyrazine-2-carbonyl)piperidine-4-carboxylic 4-ethyl-1-(pyrazine-2-carbonyl)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)	0.51	4.9	-50.76	0	6	-1	86	262.289	3	↓ MOL2 SDF SMILES Flexibase

62844878

Analogs

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Popular Name: 1-(5-methylpyrazine-2-carbonyl)-4-propyl-piperidine-4-carboxylic 1-(5-methylpyrazine-2-carbonyl)-…

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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)	1.29	6.28	-50.64	0	6	-1	86	290.343	4	↓ MOL2 SDF SMILES Flexibase

62844900

Analogs

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Popular Name: 4-propyl-1-(pyrazine-2-carbonyl)piperidine-4-carboxylic 4-propyl-1-(pyrazine-2-carbonyl)…

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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)	1.06	5.67	-51.15	0	6	-1	86	276.316	4	↓ MOL2 SDF SMILES Flexibase

62868122

Analogs

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Popular Name: (3R)-3-methyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(5-methylpyrazin…

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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)	0.39	5.43	-53.32	0	6	-1	86	262.289	2	↓ MOL2 SDF SMILES Flexibase

62868123

Analogs

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Popular Name: (3S)-3-methyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(5-methylpyrazin…

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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)	0.39	5.51	-53.41	0	6	-1	86	262.289	2	↓ MOL2 SDF SMILES Flexibase

62868180

Analogs

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Popular Name: (3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxylic (3S)-3-methyl-1-(pyrazine-2-carb…

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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)	0.17	4.85	-53.87	0	6	-1	86	248.262	2	↓ MOL2 SDF SMILES Flexibase

62868181

Analogs

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Popular Name: (3R)-3-methyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxylic (3R)-3-methyl-1-(pyrazine-2-carb…

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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)	0.17	4.91	-53.91	0	6	-1	86	248.262	2	↓ MOL2 SDF SMILES Flexibase

62869465

Analogs

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Popular Name: (3S)-3-ethyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(5-methylpyrazine…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.73	5.92	-51.48	0	6	-1	86	276.316	3	↓ MOL2 SDF SMILES Flexibase

62869466

Analogs

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Popular Name: (3R)-3-ethyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(5-methylpyrazine…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.73	6	-51.61	0	6	-1	86	276.316	3	↓ MOL2 SDF SMILES Flexibase

62869521

Analogs

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Popular Name: (3S)-3-ethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(pyrazine-2-carbo…

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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)	0.51	5.3	-52	0	6	-1	86	262.289	3	↓ MOL2 SDF SMILES Flexibase

62869522

Analogs

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Popular Name: (3R)-3-ethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxylic (3R)-3-ethyl-1-(pyrazine-2-carbo…

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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)	0.51	5.39	-52.17	0	6	-1	86	262.289	3	↓ MOL2 SDF SMILES Flexibase

62870145

Analogs

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Popular Name: (3S)-1-(5-methylpyrazine-2-carbonyl)-3-propyl-piperidine-3-carboxylic (3S)-1-(5-methylpyrazine-2-carbo…

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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)	1.29	6.68	-52.03	0	6	-1	86	290.343	4	↓ MOL2 SDF SMILES Flexibase

62870146

Analogs

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Popular Name: (3R)-1-(5-methylpyrazine-2-carbonyl)-3-propyl-piperidine-3-carboxylic (3R)-1-(5-methylpyrazine-2-carbo…

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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)	1.29	6.75	-52.06	0	6	-1	86	290.343	4	↓ MOL2 SDF SMILES Flexibase

62870195

Analogs

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Popular Name: (3S)-3-propyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxylic (3S)-3-propyl-1-(pyrazine-2-carb…

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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)	1.06	6.08	-52.61	0	6	-1	86	276.316	4	↓ MOL2 SDF SMILES Flexibase

62870196

Analogs

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Popular Name: (3R)-3-propyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxylic (3R)-3-propyl-1-(pyrazine-2-carb…

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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)	1.06	6.14	-52.63	0	6	-1	86	276.316	4	↓ MOL2 SDF SMILES Flexibase

69719345

Analogs

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Popular Name: [(3R,4R)-3-amino-4-methyl-1-piperidyl]-pyrazin-2-yl-methanone [(3R,4R)-3-amino-4-methyl-1-pipe…

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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	1.3	-47.24	3	5	1	74	221.284	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.35	1.38	-8.8	2	5	0	72	220.276	1	↓ MOL2 SDF SMILES Flexibase

69719348

Analogs

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Popular Name: [(3R,4S)-3-amino-4-methyl-1-piperidyl]-pyrazin-2-yl-methanone [(3R,4S)-3-amino-4-methyl-1-pipe…

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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	1.52	-47.08	3	5	1	74	221.284	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.35	1.22	-8.8	2	5	0	72	220.276	1	↓ MOL2 SDF SMILES Flexibase

69719351

Analogs

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Popular Name: [(3S,4R)-3-amino-4-methyl-1-piperidyl]-pyrazin-2-yl-methanone [(3S,4R)-3-amino-4-methyl-1-pipe…

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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	1.48	-47.46	3	5	1	74	221.284	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.35	1.22	-8.95	2	5	0	72	220.276	1	↓ MOL2 SDF SMILES Flexibase

69719355

Analogs

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Popular Name: [(3S,4S)-3-amino-4-methyl-1-piperidyl]-pyrazin-2-yl-methanone [(3S,4S)-3-amino-4-methyl-1-pipe…

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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	1.26	-47.57	3	5	1	74	221.284	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.35	1.64	-7.77	2	5	0	72	220.276	1	↓ MOL2 SDF SMILES Flexibase

70187732

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-(5-methylpyrazin-2-yl)methanone [4-(2-aminoethyl)-1-piperidyl]-(…

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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)	0.16	2.87	-53.13	3	5	1	74	249.338	3	↓ MOL2 SDF SMILES Flexibase

70187864

Analogs

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Popular Name: [4-(2-aminoethyl)-1-piperidyl]-pyrazin-2-yl-methanone [4-(2-aminoethyl)-1-piperidyl]-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)	-0.06	2.26	-53.29	3	5	1	74	235.311	3	↓ MOL2 SDF SMILES Flexibase

70189280

Analogs

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Popular Name: [4-[2-(methylamino)ethyl]-1-piperidyl]-(5-methylpyrazin-2-yl)methanone [4-[2-(methylamino)ethyl]-1-pipe…

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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)	1.14	4.74	-48.38	2	5	1	63	263.365	4	↓ MOL2 SDF SMILES Flexibase

70189403

Analogs

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Popular Name: [4-[2-(methylamino)ethyl]-1-piperidyl]-pyrazin-2-yl-methanone [4-[2-(methylamino)ethyl]-1-pipe…

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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)	0.92	4.1	-47.47	2	5	1	63	249.338	4	↓ MOL2 SDF SMILES Flexibase

70191097

Analogs

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Popular Name: [(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]-pyrazin-2-yl-methanone [(2S)-2-[2-(methylamino)ethyl]-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)	0.86	4.09	-37.88	2	5	1	63	249.338	4	↓ MOL2 SDF SMILES Flexibase

70191100

Analogs

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Popular Name: [(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]-pyrazin-2-yl-methanone [(2R)-2-[2-(methylamino)ethyl]-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)	0.86	4.02	-38.05	2	5	1	63	249.338	4	↓ MOL2 SDF SMILES Flexibase

70191755

Analogs

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Popular Name: [(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]-(5-methylpyrazin-2-yl)methanone [(2R)-2-[2-(methylamino)ethyl]-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)	1.08	4.66	-37.9	2	5	1	63	263.365	4	↓ MOL2 SDF SMILES Flexibase

70191756

Analogs

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Popular Name: [(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]-(5-methylpyrazin-2-yl)methanone [(2S)-2-[2-(methylamino)ethyl]-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)	1.08	4.69	-37.87	2	5	1	63	263.365	4	↓ MOL2 SDF SMILES Flexibase

48792216

Analogs

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Popular Name: 2-[1-(pyrazine-2-carbonyl)-4-piperidyl]acetamide 2-[1-(pyrazine-2-carbonyl)-4-pip…

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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)	-0.13	1.02	-14.98	2	6	0	89	248.286	3	↓ MOL2 SDF SMILES Flexibase

48792225

Analogs

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Popular Name: 2-[1-(5-methylpyrazine-2-carbonyl)-4-piperidyl]acetamide 2-[1-(5-methylpyrazine-2-carbony…

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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)	0.09	1.63	-12.89	2	6	0	89	262.313	3	↓ MOL2 SDF SMILES Flexibase

48794806

Analogs

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Popular Name: N-[(3R)-1-(pyrazine-2-carbonyl)-3-piperidyl]acetamide N-[(3R)-1-(pyrazine-2-carbonyl)-…

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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)	-0.56	1.98	-19.39	1	6	0	75	248.286	2	↓ MOL2 SDF SMILES Flexibase

48794808

Analogs

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Popular Name: N-[(3S)-1-(pyrazine-2-carbonyl)-3-piperidyl]acetamide N-[(3S)-1-(pyrazine-2-carbonyl)-…

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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)	-0.56	1.94	-19.23	1	6	0	75	248.286	2	↓ MOL2 SDF SMILES Flexibase

49318250

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)	2.33	2.32	-12.88	1	7	0	84	278.312	4	↓ MOL2 SDF SMILES Flexibase

41593863

Analogs

41848372

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Popular Name: N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide N,N-dimethyl-1-(pyrazine-2-carbo…

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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)	-0.41	3.53	-15.46	0	6	0	66	262.313	2	↓ MOL2 SDF SMILES Flexibase

41593919

Analogs

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Popular Name: N,N-dimethyl-1-(5-methylpyrazine-2-carbonyl)piperidine-4-carboxamide N,N-dimethyl-1-(5-methylpyrazine…

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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)	-0.19	4.14	-15.2	0	6	0	66	276.34	2	↓ MOL2 SDF SMILES Flexibase

49411859

Analogs

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Popular Name: (3-aminopyrazin-2-yl)-[(3R)-3-propoxy-1-piperidyl]methanone (3-aminopyrazin-2-yl)-[(3R)-3-pr…

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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	2.41	-9.65	2	6	0	81	264.329	4	↓ MOL2 SDF SMILES Flexibase

49411862

Analogs

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Popular Name: (3-aminopyrazin-2-yl)-[(3S)-3-propoxy-1-piperidyl]methanone (3-aminopyrazin-2-yl)-[(3S)-3-pr…

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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	2.49	-9.7	2	6	0	81	264.329	4	↓ MOL2 SDF SMILES Flexibase

49519823

Analogs

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Popular Name: [(3S)-1-(pyrazine-2-carbonyl)-3-piperidyl]urea [(3S)-1-(pyrazine-2-carbonyl)-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)	-0.64	-0.8	-20.07	3	7	0	101	249.274	2	↓ MOL2 SDF SMILES Flexibase

49519824

Analogs

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Popular Name: [(3R)-1-(pyrazine-2-carbonyl)-3-piperidyl]urea [(3R)-1-(pyrazine-2-carbonyl)-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)	-0.64	-0.85	-19.87	3	7	0	101	249.274	2	↓ MOL2 SDF SMILES Flexibase

49523144

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)	0.03	4.23	-13.97	1	8	0	101	320.349	6	↓ MOL2 SDF SMILES Flexibase

49523172

Analogs

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Popular Name: 1-bromo-N-[[1-(pyrazine-2-carbonyl)-4-piperidyl]methyl]methanesulfonamide 1-bromo-N-[[1-(pyrazine-2-carbon…

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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)	0.56	1.25	-18.44	1	7	0	92	377.264	5	↓ MOL2 SDF SMILES Flexibase

49523174

Analogs

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Popular Name: N-[[1-(pyrazine-2-carbonyl)-4-piperidyl]methyl]oxamide N-[[1-(pyrazine-2-carbonyl)-4-pi…

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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)	-1.48	-1.14	-13.68	3	8	0	118	291.311	4	↓ MOL2 SDF SMILES Flexibase

49523176

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-N'-[[1-(pyrazine-2-carbonyl)-4-piperidyl]methyl]oxamide N-(2-dimethylaminoethyl)-N'-[[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)	-1.08	2.48	-48.54	3	9	1	109	363.442	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.89	1.2	-54.19	2	9	0	115	362.434	7	↓ MOL2 SDF SMILES Flexibase

49523185

Analogs

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Popular Name: N-[[1-(pyrazine-2-carbonyl)-4-piperidyl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide N-[[1-(pyrazine-2-carbonyl)-4-pi…

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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)	-0.18	1.66	-13.58	2	8	0	104	373.335	6	↓ MOL2 SDF SMILES Flexibase

67726187

Analogs

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Popular Name: [(3S,4R)-3-ethyl-4-hydroxy-4-methyl-1-piperidyl]-pyrazin-2-yl-methanone [(3S,4R)-3-ethyl-4-hydroxy-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)	1.09	2.2	-9.9	1	5	0	66	249.314	2	↓ MOL2 SDF SMILES Flexibase

41848372

Analogs

41593863
22896068

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Popular Name: N-methyl-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide N-methyl-1-(pyrazine-2-carbonyl)…

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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)	-0.21	1.79	-15.01	1	6	0	75	248.286	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3638
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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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>
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