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ZINC Item

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67235827

Analogs

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Popular Name: 2-[(3,6-dimethyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]ac 2-[(3,6-dimethyl-4-oxo-5H-pyrrol…

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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	6.38	-15.49	2	7	0	89	386.477	6	↓ MOL2 SDF SMILES Flexibase

67235830

Analogs

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Popular Name: 2-[(3,6-dimethyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]ac 2-[(3,6-dimethyl-4-oxo-5H-pyrrol…

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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	6.38	-15.52	2	7	0	89	386.477	6	↓ MOL2 SDF SMILES Flexibase

67235840

Analogs

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Popular Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-2-[(3-ethyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulf N-[(2-chloro-4-fluoro-phenyl)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)	3.80	7.62	-14.47	2	6	0	80	408.886	6	↓ MOL2 SDF SMILES Flexibase

67235843

Analogs

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Popular Name: 2-[(3-ethyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-(4-methoxyphenyl)ethy 2-[(3-ethyl-6-methyl-4-oxo-5H-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)	3.65	7.27	-15.35	2	7	0	89	400.504	7	↓ MOL2 SDF SMILES Flexibase

67235846

Analogs

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Popular Name: 2-[(3-ethyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-methoxyphenyl)ethy 2-[(3-ethyl-6-methyl-4-oxo-5H-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)	3.65	7.27	-15.36	2	7	0	89	400.504	7	↓ MOL2 SDF SMILES Flexibase

67235848

Analogs

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Popular Name: N-benzyl-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-benzyl-2-[(3-isopropyl-6-methy…

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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)	3.40	7.67	-13.08	2	6	0	80	370.478	6	↓ MOL2 SDF SMILES Flexibase

67235863

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]a N-[(2-chlorophenyl)methyl]-2-[(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)	4.03	8.09	-13.54	2	6	0	80	404.923	6	↓ MOL2 SDF SMILES Flexibase

67235945

Analogs

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Popular Name: 2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(p-tolylmethyl)acetamide 2-[(3-isopropyl-6-methyl-4-oxo-5…

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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)	3.85	8.35	-12.96	2	6	0	80	384.505	6	↓ MOL2 SDF SMILES Flexibase

67236030

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]a N-[(4-fluorophenyl)methyl]-2-[(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)	3.56	7.74	-13.98	2	6	0	80	388.468	6	↓ MOL2 SDF SMILES Flexibase

67236062

Analogs

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Popular Name: 2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl] 2-[(3-isopropyl-6-methyl-4-oxo-5…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	6.97	-14.42	2	7	0	89	400.504	7	↓ MOL2 SDF SMILES Flexibase

67236064

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]a N-[(4-chlorophenyl)methyl]-2-[(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)	4.08	8.19	-13.41	2	6	0	80	404.923	6	↓ MOL2 SDF SMILES Flexibase

67236073

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfa N-[(2,3-dimethoxyphenyl)methyl]-…

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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	6.91	-15.58	2	8	0	98	430.53	8	↓ MOL2 SDF SMILES Flexibase

67236126

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfa N-[(3,4-dimethoxyphenyl)methyl]-…

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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)	3.04	6.87	-16.71	2	8	0	98	430.53	8	↓ MOL2 SDF SMILES Flexibase

67236148

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl) N-[(3-chloro-4-fluoro-phenyl)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)	4.17	8.23	-14.95	2	6	0	80	422.913	6	↓ MOL2 SDF SMILES Flexibase

67236175

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfan N-[(2,4-difluorophenyl)methyl]-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)	3.65	7.76	-14.2	2	6	0	80	406.458	6	↓ MOL2 SDF SMILES Flexibase

67236181

Analogs

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Popular Name: 2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-(4-methoxyphenyl) 2-[(3-isopropyl-6-methyl-4-oxo-5…

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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)	4.01	7.81	-14.64	2	7	0	89	414.531	7	↓ MOL2 SDF SMILES Flexibase

67236182

Analogs

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Popular Name: 2-[(3-isopropyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-methoxyphenyl) 2-[(3-isopropyl-6-methyl-4-oxo-5…

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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)	4.01	7.81	-14.64	2	7	0	89	414.531	7	↓ MOL2 SDF SMILES Flexibase

67237589

Analogs

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Popular Name: N-benzyl-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-benzyl-2-[(3-isobutyl-6-methyl…

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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)	3.78	7.99	-13.27	2	6	0	80	384.505	7	↓ MOL2 SDF SMILES Flexibase

67237607

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ac N-[(2-chlorophenyl)methyl]-2-[(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)	4.41	8.4	-13.89	2	6	0	80	418.95	7	↓ MOL2 SDF SMILES Flexibase

67237759

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ac N-[(4-fluorophenyl)methyl]-2-[(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)	3.94	8.06	-14.24	2	6	0	80	402.495	7	↓ MOL2 SDF SMILES Flexibase

67237785

Analogs

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Popular Name: 2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]a 2-[(3-isobutyl-6-methyl-4-oxo-5H…

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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)	3.84	7.29	-14.67	2	7	0	89	414.531	8	↓ MOL2 SDF SMILES Flexibase

67237789

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ac N-[(4-chlorophenyl)methyl]-2-[(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)	4.46	8.51	-13.67	2	6	0	80	418.95	7	↓ MOL2 SDF SMILES Flexibase

67237795

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfan N-[(2,3-dimethoxyphenyl)methyl]-…

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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)	3.60	7.23	-15.89	2	8	0	98	444.557	9	↓ MOL2 SDF SMILES Flexibase

67237851

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfan N-[(3,4-dimethoxyphenyl)methyl]-…

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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)	3.43	7.63	-16.77	2	8	0	98	444.557	9	↓ MOL2 SDF SMILES Flexibase

67237871

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)s N-[(3-chloro-4-fluoro-phenyl)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)	4.55	8.55	-15.27	2	6	0	80	436.94	7	↓ MOL2 SDF SMILES Flexibase

67237896

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfany N-[(2,4-difluorophenyl)methyl]-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)	4.04	8.52	-14.23	2	6	0	80	420.485	7	↓ MOL2 SDF SMILES Flexibase

67237904

Analogs

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Popular Name: 2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-(4-methoxyphenyl)e 2-[(3-isobutyl-6-methyl-4-oxo-5H…

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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)	4.40	8.12	-14.95	2	7	0	89	428.558	8	↓ MOL2 SDF SMILES Flexibase

67237906

Analogs

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Popular Name: 2-[(3-isobutyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-methoxyphenyl)e 2-[(3-isobutyl-6-methyl-4-oxo-5H…

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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)	4.40	8.12	-14.95	2	7	0	89	428.558	8	↓ MOL2 SDF SMILES Flexibase

67237908

Analogs

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Popular Name: N-benzyl-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-benzyl-2-[(3-isopentyl-6-methy…

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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	9.19	-13.27	2	6	0	80	398.532	8	↓ MOL2 SDF SMILES Flexibase

67237934

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]a N-[(2-chlorophenyl)methyl]-2-[(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)	4.94	9.6	-13.76	2	6	0	80	432.977	8	↓ MOL2 SDF SMILES Flexibase

67238021

Analogs

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Popular Name: 2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(p-tolylmethyl)acetamide 2-[(3-isopentyl-6-methyl-4-oxo-5…

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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)	4.76	9.87	-13.12	2	6	0	80	412.559	8	↓ MOL2 SDF SMILES Flexibase

67238039

Analogs

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Popular Name: N-benzyl-N-ethyl-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-benzyl-N-ethyl-2-[(3-isopentyl…

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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)	4.93	12.24	-13.89	1	6	0	71	426.586	9	↓ MOL2 SDF SMILES Flexibase

67238113

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]a N-[(4-fluorophenyl)methyl]-2-[(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)	4.47	9.26	-14.29	2	6	0	80	416.522	8	↓ MOL2 SDF SMILES Flexibase

67238146

Analogs

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Popular Name: 2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl] 2-[(3-isopentyl-6-methyl-4-oxo-5…

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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)	4.37	8.49	-14.67	2	7	0	89	428.558	9	↓ MOL2 SDF SMILES Flexibase

67238149

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]a N-[(4-chlorophenyl)methyl]-2-[(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)	4.99	9.71	-13.7	2	6	0	80	432.977	8	↓ MOL2 SDF SMILES Flexibase

67238161

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfa N-[(2,3-dimethoxyphenyl)methyl]-…

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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)	4.13	8.43	-15.79	2	8	0	98	458.584	10	↓ MOL2 SDF SMILES Flexibase

67238216

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfa N-[(3,4-dimethoxyphenyl)methyl]-…

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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)	3.96	8.39	-17.07	2	8	0	98	458.584	10	↓ MOL2 SDF SMILES Flexibase

67238235

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl) N-[(3-chloro-4-fluoro-phenyl)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)	5.08	9.75	-15.25	2	6	0	80	450.967	8	↓ MOL2 SDF SMILES Flexibase

67238253

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfan N-[(2,4-difluorophenyl)methyl]-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)	4.57	9.28	-14.54	2	6	0	80	434.512	8	↓ MOL2 SDF SMILES Flexibase

67238261

Analogs

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Popular Name: 2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-(4-methoxyphenyl) 2-[(3-isopentyl-6-methyl-4-oxo-5…

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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)	4.93	9.32	-14.84	2	7	0	89	442.585	9	↓ MOL2 SDF SMILES Flexibase

67238263

Analogs

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Popular Name: 2-[(3-isopentyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-(4-methoxyphenyl) 2-[(3-isopentyl-6-methyl-4-oxo-5…

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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)	4.93	9.32	-14.81	2	7	0	89	442.585	9	↓ MOL2 SDF SMILES Flexibase

67238268

Analogs

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Popular Name: N-benzyl-2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-benzyl-2-[(3-butyl-6-methyl-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)	4.10	8.68	-13.34	2	6	0	80	384.505	8	↓ MOL2 SDF SMILES Flexibase

67238291

Analogs

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Popular Name: 2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(2-chlorophenyl)methyl]aceta 2-[(3-butyl-6-methyl-4-oxo-5H-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)	4.73	9.09	-13.89	2	6	0	80	418.95	8	↓ MOL2 SDF SMILES Flexibase

67238366

Analogs

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Popular Name: 2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(p-tolylmethyl)acetamide 2-[(3-butyl-6-methyl-4-oxo-5H-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)	4.54	9.35	-13.32	2	6	0	80	398.532	8	↓ MOL2 SDF SMILES Flexibase

67238371

Analogs

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Popular Name: N-benzyl-2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-ethyl-acetamide N-benzyl-2-[(3-butyl-6-methyl-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)	4.72	11.73	-14.12	1	6	0	71	412.559	9	↓ MOL2 SDF SMILES Flexibase

67238457

Analogs

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Popular Name: 2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]aceta 2-[(3-butyl-6-methyl-4-oxo-5H-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)	4.26	8.74	-14.45	2	6	0	80	402.495	8	↓ MOL2 SDF SMILES Flexibase

67238489

Analogs

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Popular Name: 2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acet 2-[(3-butyl-6-methyl-4-oxo-5H-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)	4.15	7.98	-14.81	2	7	0	89	414.531	9	↓ MOL2 SDF SMILES Flexibase

67238492

Analogs

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Popular Name: 2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acet 2-[(3-butyl-6-methyl-4-oxo-5H-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)	4.13	7.98	-14.85	2	7	0	89	414.531	9	↓ MOL2 SDF SMILES Flexibase

67238526

Analogs

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Popular Name: N-[(2-bromophenyl)methyl]-2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetam N-[(2-bromophenyl)methyl]-2-[(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)	4.86	9.17	-13.83	2	6	0	80	463.401	8	↓ MOL2 SDF SMILES Flexibase

67238550

Analogs

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Popular Name: 2-[(3-butyl-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl] 2-[(3-butyl-6-methyl-4-oxo-5H-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	7.87	-17.23	2	8	0	98	444.557	10	↓ MOL2 SDF SMILES Flexibase

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