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ZINC Item

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8486699

Analogs

7670978

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(3-methoxypropyl)benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	1.91	6.92	-17.77	3	8	0	110	408.458	8	↓ MOL2 SDF SMILES Flexibase

13011877

Analogs

7687821

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-fluoro-N-isobutyl-4-methyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.32	8.86	-14.51	3	7	0	101	424.476	6	↓ MOL2 SDF SMILES Flexibase

13259309

Analogs

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Popular Name: 3-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-(3-methoxypropyl)carbamoyl]-5-nitro-benzoic 3-[(6-amino-1-benzyl-2,4-dioxo-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)	1.71	7.3	-66.37	3	13	-1	196	496.456	10	↓ MOL2 SDF SMILES Flexibase

13259310

Analogs

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Popular Name: 4-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-(3-methoxypropyl)carbamoyl]benzoic 4-[(6-amino-1-benzyl-2,4-dioxo-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)	1.82	6.63	-54.43	3	10	-1	151	451.459	9	↓ MOL2 SDF SMILES Flexibase

13259314

Analogs

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Popular Name: 3-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-butyl-carbamoyl]-5-nitro-benzoic 3-[(6-amino-1-benzyl-2,4-dioxo-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)	2.89	9.01	-63.22	3	12	-1	187	480.457	9	↓ MOL2 SDF SMILES Flexibase

13259315

Analogs

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Popular Name: 4-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-butyl-carbamoyl]benzoic 4-[(6-amino-1-benzyl-2,4-dioxo-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)	3.00	8.34	-51.68	3	9	-1	141	435.46	8	↓ MOL2 SDF SMILES Flexibase

13259661

Analogs

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Popular Name: 3-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]-5-nitro-benzoic 3-[(6-amino-1-benzyl-2,4-dioxo-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)	1.44	6.54	-63.49	3	13	-1	196	482.429	9	↓ MOL2 SDF SMILES Flexibase

13259662

Analogs

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Popular Name: 4-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]benzoic 4-[(6-amino-1-benzyl-2,4-dioxo-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)	1.55	7.63	-54.25	3	10	-1	151	437.432	8	↓ MOL2 SDF SMILES Flexibase

13260410

Analogs

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Popular Name: 3-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-isopentyl-carbamoyl]-5-nitro-benzoic 3-[(6-amino-1-benzyl-2,4-dioxo-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)	3.11	9.52	-63.06	3	12	-1	187	494.484	9	↓ MOL2 SDF SMILES Flexibase

13260412

Analogs

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Popular Name: 4-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-isopentyl-carbamoyl]benzoic 4-[(6-amino-1-benzyl-2,4-dioxo-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)	3.22	8.84	-51.62	3	9	-1	141	449.487	8	↓ MOL2 SDF SMILES Flexibase

13260871

Analogs

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Popular Name: 3-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-propyl-carbamoyl]-5-nitro-benzoic 3-[(6-amino-1-benzyl-2,4-dioxo-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)	2.33	8.23	-62.95	3	12	-1	187	466.43	8	↓ MOL2 SDF SMILES Flexibase

13260872

Analogs

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Popular Name: 4-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-propyl-carbamoyl]benzoic 4-[(6-amino-1-benzyl-2,4-dioxo-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)	2.44	7.56	-51.53	3	9	-1	141	421.433	7	↓ MOL2 SDF SMILES Flexibase

13427621

Analogs

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Popular Name: 3-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-carbamoyl]-5-nitro-benzoic 3-[(6-amino-1-benzyl-2,4-dioxo-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)	1.83	7.46	-62.93	3	12	-1	187	452.403	7	↓ MOL2 SDF SMILES Flexibase

13427622

Analogs

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Popular Name: 4-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-carbamoyl]benzoic 4-[(6-amino-1-benzyl-2,4-dioxo-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)	1.94	6.71	-51.23	3	9	-1	141	407.406	6	↓ MOL2 SDF SMILES Flexibase

14246745

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-(dimethylsulfamoyl)-N-propyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	1.82	5.65	-20.81	3	10	0	139	485.566	8	↓ MOL2 SDF SMILES Flexibase

14578846

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-3-methyl-2-nitro-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.62	11.48	-21.15	3	10	0	147	465.51	8	↓ MOL2 SDF SMILES Flexibase

14578860

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-5-chloro-N-isopentyl-2-methoxy-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	4.52	10.18	-16.14	3	8	0	110	470.957	8	↓ MOL2 SDF SMILES Flexibase

14578946

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-methylsulfanyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.69	10.44	-20.34	3	7	0	101	452.58	8	↓ MOL2 SDF SMILES Flexibase

14578963

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(difluoromethoxy)-N-isopentyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	4.42	10.15	-22.13	3	8	0	110	472.492	9	↓ MOL2 SDF SMILES Flexibase

14579062

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-methylsulfonyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	2.18	6.73	-19.16	3	9	0	135	484.578	8	↓ MOL2 SDF SMILES Flexibase

14579101

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-nitro-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.22	11.4	-30.84	3	10	0	147	451.483	8	↓ MOL2 SDF SMILES Flexibase

14579103

Analogs

9884209

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-chloro-N-isopentyl-3-nitro-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.87	10.46	-22.24	3	10	0	147	485.928	8	↓ MOL2 SDF SMILES Flexibase

14579106

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-3-nitro-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.24	9.75	-13.93	3	10	0	147	451.483	8	↓ MOL2 SDF SMILES Flexibase

14579109

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-chloro-N-isopentyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.94	9.96	-19.73	3	7	0	101	440.931	7	↓ MOL2 SDF SMILES Flexibase

14579118

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-methoxy-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.86	9.65	-16.81	3	8	0	110	436.512	8	↓ MOL2 SDF SMILES Flexibase

14579122

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-chloro-N-isopentyl-5-nitro-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.87	10.45	-17.74	3	10	0	147	485.928	8	↓ MOL2 SDF SMILES Flexibase

14579125

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-tert-butyl-N-isopentyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	5.01	11.7	-18.4	3	7	0	101	462.594	8	↓ MOL2 SDF SMILES Flexibase

14579128

Analogs

9507255

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-nitro-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.27	9.76	-13.45	3	10	0	147	451.483	8	↓ MOL2 SDF SMILES Flexibase

14579135

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-(trifluoromethyl)benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	4.16	10.39	-21.64	3	7	0	101	474.483	8	↓ MOL2 SDF SMILES Flexibase

14579137

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-(trifluoromethyl)benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	4.20	10.38	-17.52	3	7	0	101	474.483	8	↓ MOL2 SDF SMILES Flexibase

14579139

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-3-(trifluoromethyl)benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	4.18	10.1	-12.24	3	7	0	101	474.483	8	↓ MOL2 SDF SMILES Flexibase

14579147

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2,4-dichloro-N-isopentyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	4.59	9.94	-11.9	3	7	0	101	475.376	7	↓ MOL2 SDF SMILES Flexibase

14579185

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-3,4,5-trimethoxy-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	2.94	7.95	-20.97	3	10	0	129	496.564	10	↓ MOL2 SDF SMILES Flexibase

14579224

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2,4-difluoro-N-isopentyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.56	9.09	-13.21	3	7	0	101	442.466	7	↓ MOL2 SDF SMILES Flexibase

14579230

Analogs

14510503

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-3,4-dimethoxy-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	2.95	8.36	-15.93	3	9	0	120	466.538	9	↓ MOL2 SDF SMILES Flexibase

14579239

Analogs

14510515

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-ethyl-N-isopentyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	4.22	10.63	-14.41	3	7	0	101	434.54	8	↓ MOL2 SDF SMILES Flexibase

14579264

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-(trifluoromethoxy)benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	4.28	9.19	-17.02	3	8	0	110	490.482	9	↓ MOL2 SDF SMILES Flexibase

14579281

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-methyl-3-nitro-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.62	11.29	-30.92	3	10	0	147	465.51	8	↓ MOL2 SDF SMILES Flexibase

14579411

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-(difluoromethoxy)-3-methoxy-N-propyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	2.74	7.43	-16.05	3	9	0	120	474.464	9	↓ MOL2 SDF SMILES Flexibase

14579426

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-methyl-2-nitro-N-propyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	2.84	10.21	-21.54	3	10	0	147	437.456	7	↓ MOL2 SDF SMILES Flexibase

14579428

Analogs

12923965

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-(difluoromethoxy)-N-propyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.15	7.5	-16.16	3	8	0	110	444.438	8	↓ MOL2 SDF SMILES Flexibase

14579439

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-5-chloro-2-methoxy-N-propyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.74	8.9	-16.38	3	8	0	110	442.903	7	↓ MOL2 SDF SMILES Flexibase

14579793

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-methylsulfonyl-N-propyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	1.40	5.48	-19.05	3	9	0	135	456.524	7	↓ MOL2 SDF SMILES Flexibase

14579854

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-isobutoxy-N-propyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.71	9.68	-14.05	3	8	0	110	450.539	9	↓ MOL2 SDF SMILES Flexibase

14579880

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-bromo-N-propyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.34	8.32	-11.83	3	7	0	101	457.328	6	↓ MOL2 SDF SMILES Flexibase

14579970

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3,5-dimethoxy-N-propyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	2.57	6.71	-21.13	3	9	0	120	438.484	8	↓ MOL2 SDF SMILES Flexibase

14580066

Analogs

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Popular Name: 3-acetamido-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-propyl-benzamide 3-acetamido-N-(6-amino-1-benzyl-…

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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)	1.73	6.67	-18.51	4	9	0	130	435.484	7	↓ MOL2 SDF SMILES Flexibase

14583404

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-5-chloro-2-methoxy-N-methyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	2.87	7.23	-16.76	3	8	0	110	414.849	5	↓ MOL2 SDF SMILES Flexibase

14583552

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(difluoromethoxy)-N-methyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	2.77	6.99	-16.66	3	8	0	110	416.384	6	↓ MOL2 SDF SMILES Flexibase

14583688

Analogs

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Popular Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-4-isopentyloxy-N-methyl-benzamide N-(6-amino-1-benzyl-2,4-dioxo-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)	3.36	8.54	-14	3	8	0	110	436.512	8	↓ MOL2 SDF SMILES Flexibase

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