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ZINC Item

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65310799

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-benzyl-N-ethyl-acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	0.90	8.77	-18.21	2	6	0	81	300.362	5	↓ MOL2 SDF SMILES Flexibase

65310800

Analogs

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Popular Name: 2-(2-amino-4-ethyl-6-oxo-pyrimidin-1-yl)-N-benzyl-N-ethyl-acetamide 2-(2-amino-4-ethyl-6-oxo-pyrimid…

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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)	1.47	9.5	-17.87	2	6	0	81	314.389	6	↓ MOL2 SDF SMILES Flexibase

65310895

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-benzyl-acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	0.28	5.78	-17.61	3	6	0	90	272.308	4	↓ MOL2 SDF SMILES Flexibase

65310896

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-(p-tolylmethyl)acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	0.72	6.45	-17.51	3	6	0	90	286.335	4	↓ MOL2 SDF SMILES Flexibase

65310897

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	0.28	5.11	-19.47	3	7	0	99	302.334	5	↓ MOL2 SDF SMILES Flexibase

65310898

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	0.33	5.08	-18.68	3	7	0	99	302.334	5	↓ MOL2 SDF SMILES Flexibase

65310899

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	0.44	5.84	-18.35	3	6	0	90	290.298	4	↓ MOL2 SDF SMILES Flexibase

65310914

Analogs

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Popular Name: 2-(2-amino-4-ethyl-6-oxo-pyrimidin-1-yl)-N-benzyl-acetamide 2-(2-amino-4-ethyl-6-oxo-pyrimid…

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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)	0.85	6.5	-17.23	3	6	0	90	286.335	5	↓ MOL2 SDF SMILES Flexibase

65310915

Analogs

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Popular Name: 2-(2-amino-4-ethyl-6-oxo-pyrimidin-1-yl)-N-(p-tolylmethyl)acetamide 2-(2-amino-4-ethyl-6-oxo-pyrimid…

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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)	1.30	7.18	-17.15	3	6	0	90	300.362	5	↓ MOL2 SDF SMILES Flexibase

65310916

Analogs

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Popular Name: 2-(2-amino-4-ethyl-6-oxo-pyrimidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide 2-(2-amino-4-ethyl-6-oxo-pyrimid…

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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	5.84	-19.06	3	7	0	99	316.361	6	↓ MOL2 SDF SMILES Flexibase

65310917

Analogs

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Popular Name: 2-(2-amino-4-ethyl-6-oxo-pyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide 2-(2-amino-4-ethyl-6-oxo-pyrimid…

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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)	0.88	5.8	-19.27	3	7	0	99	316.361	6	↓ MOL2 SDF SMILES Flexibase

65310918

Analogs

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Popular Name: 2-(2-amino-4-ethyl-6-oxo-pyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide 2-(2-amino-4-ethyl-6-oxo-pyrimid…

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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)	1.01	6.57	-18.03	3	6	0	90	304.325	5	↓ MOL2 SDF SMILES Flexibase

65310919

Analogs

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Popular Name: 2-(2-amino-4-ethyl-6-oxo-pyrimidin-1-yl)-N-[(2,4-difluorophenyl)methyl]acetamide 2-(2-amino-4-ethyl-6-oxo-pyrimid…

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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)	1.10	6.59	-19.54	3	6	0	90	322.315	5	↓ MOL2 SDF SMILES Flexibase

65310923

Analogs

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Popular Name: 2-(2-amino-4,5-dimethyl-6-oxo-pyrimidin-1-yl)-N-[(2,4-difluorophenyl)methyl]acetamide 2-(2-amino-4,5-dimethyl-6-oxo-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.91	6.46	-17.19	3	6	0	90	322.315	4	↓ MOL2 SDF SMILES Flexibase

65310924

Analogs

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Popular Name: 2-(2-amino-4-ethyl-5-methyl-6-oxo-pyrimidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide 2-(2-amino-4-ethyl-5-methyl-6-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)	1.23	6.37	-19.06	3	7	0	99	330.388	6	↓ MOL2 SDF SMILES Flexibase

65310938

Analogs

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Popular Name: 2-[2-amino-4-(methoxymethyl)-6-oxo-pyrimidin-1-yl]-N-benzyl-acetamide 2-[2-amino-4-(methoxymethyl)-6-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)	0.25	4.8	-17.97	3	7	0	99	302.334	6	↓ MOL2 SDF SMILES Flexibase

65310940

Analogs

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Popular Name: 2-[2-amino-4-(methoxymethyl)-6-oxo-pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide 2-[2-amino-4-(methoxymethyl)-6-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)	0.41	4.87	-18.8	3	7	0	99	320.324	6	↓ MOL2 SDF SMILES Flexibase

65310941

Analogs

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Popular Name: 2-[2-amino-4-(methoxymethyl)-6-oxo-pyrimidin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide 2-[2-amino-4-(methoxymethyl)-6-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)	0.50	4.89	-20.27	3	7	0	99	338.314	6	↓ MOL2 SDF SMILES Flexibase

65310942

Analogs

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Popular Name: 2-[2-amino-4-(methoxymethyl)-6-oxo-pyrimidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide 2-[2-amino-4-(methoxymethyl)-6-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)	0.88	5.21	-19.27	3	7	0	99	336.779	6	↓ MOL2 SDF SMILES Flexibase

65310943

Analogs

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Popular Name: 2-[2-amino-4-(methoxymethyl)-6-oxo-pyrimidin-1-yl]-N-[(3-chloro-4-fluoro-phenyl)methyl]acetamide 2-[2-amino-4-(methoxymethyl)-6-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)	1.02	5.36	-20.31	3	7	0	99	354.769	6	↓ MOL2 SDF SMILES Flexibase

49343600

Analogs

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Popular Name: 2-(4-isopropyl-6-oxo-pyrimidin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide 2-(4-isopropyl-6-oxo-pyrimidin-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)	2.45	7.49	-19.28	1	6	0	73	369.343	7	↓ MOL2 SDF SMILES Flexibase

49410984

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	-0.08	4.97	-21.34	3	8	0	108	332.36	6	↓ MOL2 SDF SMILES Flexibase

49410988

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-[(2,4-difluorophenyl)methyl]acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	0.53	5.86	-19.89	3	6	0	90	308.288	4	↓ MOL2 SDF SMILES Flexibase

49410990

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	0.90	6.19	-18.86	3	6	0	90	306.753	4	↓ MOL2 SDF SMILES Flexibase

49410992

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.95	6.3	-17.78	3	6	0	90	306.753	4	↓ MOL2 SDF SMILES Flexibase

49410994

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-[(2-chloro-4-fluoro-phenyl)methyl]acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	1.04	6.26	-19.03	3	6	0	90	324.743	4	↓ MOL2 SDF SMILES Flexibase

49410996

Analogs

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Popular Name: 2-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)-N-[(3-chloro-4-fluoro-phenyl)methyl]acetamide 2-(2-amino-4-methyl-6-oxo-pyrimi…

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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)	1.04	6.34	-19.78	3	6	0	90	324.743	4	↓ MOL2 SDF SMILES Flexibase

49411021

Analogs

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Popular Name: 2-(2-amino-4-ethyl-6-oxo-pyrimidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide 2-(2-amino-4-ethyl-6-oxo-pyrimid…

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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)	0.90	5.8	-18.36	3	7	0	99	316.361	6	↓ MOL2 SDF SMILES Flexibase

49411025

Analogs

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Popular Name: 2-(2-amino-4-ethyl-6-oxo-pyrimidin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide 2-(2-amino-4-ethyl-6-oxo-pyrimid…

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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)	1.53	7.02	-17.41	3	6	0	90	320.78	5	↓ MOL2 SDF SMILES Flexibase

49411029

Analogs

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Popular Name: 2-(2-amino-4,5-dimethyl-6-oxo-pyrimidin-1-yl)-N-benzyl-acetamide 2-(2-amino-4,5-dimethyl-6-oxo-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.65	6.37	-17.46	3	6	0	90	286.335	4	↓ MOL2 SDF SMILES Flexibase

49411031

Analogs

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Popular Name: 2-(2-amino-4,5-dimethyl-6-oxo-pyrimidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide 2-(2-amino-4,5-dimethyl-6-oxo-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.66	5.71	-18.2	3	7	0	99	316.361	5	↓ MOL2 SDF SMILES Flexibase

49411033

Analogs

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Popular Name: 2-(2-amino-4,5-dimethyl-6-oxo-pyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide 2-(2-amino-4,5-dimethyl-6-oxo-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	5.67	-18.23	3	7	0	99	316.361	5	↓ MOL2 SDF SMILES Flexibase

49411035

Analogs

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Popular Name: 2-(2-amino-4,5-dimethyl-6-oxo-pyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide 2-(2-amino-4,5-dimethyl-6-oxo-py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.82	6.44	-18.21	3	6	0	90	304.325	4	↓ MOL2 SDF SMILES Flexibase

49411037

Analogs

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Popular Name: 2-(2-amino-4-ethyl-5-methyl-6-oxo-pyrimidin-1-yl)-N-benzyl-acetamide 2-(2-amino-4-ethyl-5-methyl-6-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)	1.22	7.03	-17.2	3	6	0	90	300.362	5	↓ MOL2 SDF SMILES Flexibase

49411039

Analogs

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Popular Name: 2-(2-amino-4-ethyl-5-methyl-6-oxo-pyrimidin-1-yl)-N-(p-tolylmethyl)acetamide 2-(2-amino-4-ethyl-5-methyl-6-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)	1.67	7.71	-17.19	3	6	0	90	314.389	5	↓ MOL2 SDF SMILES Flexibase

49411041

Analogs

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Popular Name: 2-(2-amino-4-ethyl-5-methyl-6-oxo-pyrimidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide 2-(2-amino-4-ethyl-5-methyl-6-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)	1.26	6.33	-19.22	3	7	0	99	330.388	6	↓ MOL2 SDF SMILES Flexibase

49411043

Analogs

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Popular Name: 2-(2-amino-4-ethyl-5-methyl-6-oxo-pyrimidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide 2-(2-amino-4-ethyl-5-methyl-6-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)	1.28	6.33	-18.25	3	7	0	99	330.388	6	↓ MOL2 SDF SMILES Flexibase

49411047

Analogs

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Popular Name: 2-(2-amino-4-ethyl-5-methyl-6-oxo-pyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide 2-(2-amino-4-ethyl-5-methyl-6-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)	1.39	7.1	-17.94	3	6	0	90	318.352	5	↓ MOL2 SDF SMILES Flexibase

49411049

Analogs

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Popular Name: 2-(2-amino-4-ethyl-5-methyl-6-oxo-pyrimidin-1-yl)-N-[(2,4-difluorophenyl)methyl]acetamide 2-(2-amino-4-ethyl-5-methyl-6-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)	1.48	7.12	-19.47	3	6	0	90	336.342	5	↓ MOL2 SDF SMILES Flexibase

49411050

Analogs

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Popular Name: 2-(2-amino-4-ethyl-5-methyl-6-oxo-pyrimidin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide 2-(2-amino-4-ethyl-5-methyl-6-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)	1.85	7.45	-18.51	3	6	0	90	334.807	5	↓ MOL2 SDF SMILES Flexibase

49411053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-amino-4-ethyl-5-methyl-6-oxo-pyrimidin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide 2-(2-amino-4-ethyl-5-methyl-6-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)	1.90	7.55	-17.39	3	6	0	90	334.807	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 383240 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

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<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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