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67236603

Analogs

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

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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)	2.99	9.58	-16.19	2	6	0	80	404.495	6	↓ MOL2 SDF SMILES Flexibase

67236629

Analogs

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

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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	9.99	-16.7	2	6	0	80	438.94	6	↓ MOL2 SDF SMILES Flexibase

67236702

Analogs

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Popular Name: 2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(p-tolylmethyl)acetamide 2-[(6-methyl-4-oxo-3-phenyl-5H-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)	3.44	10.25	-16.09	2	6	0	80	418.522	6	↓ MOL2 SDF SMILES Flexibase

67236792

Analogs

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

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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	9.64	-17.04	2	6	0	80	422.485	6	↓ MOL2 SDF SMILES Flexibase

67236821

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]ace N-[(4-methoxyphenyl)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)	3.04	8.88	-17.44	2	7	0	89	434.521	7	↓ MOL2 SDF SMILES Flexibase

67236824

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.66	10.1	-16.45	2	6	0	80	438.94	6	↓ MOL2 SDF SMILES Flexibase

67236834

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl 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)	2.81	8.82	-18.72	2	8	0	98	464.547	8	↓ MOL2 SDF SMILES Flexibase

67236901

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sul 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)	3.76	10.14	-17.93	2	6	0	80	456.93	6	↓ MOL2 SDF SMILES Flexibase

67236917

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl] 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)	3.24	9.67	-17.39	2	6	0	80	440.475	6	↓ MOL2 SDF SMILES Flexibase

67236923

Analogs

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Popular Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfan N-[(1S)-1-(4-methoxyphenyl)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)	3.60	9.72	-17.76	2	7	0	89	448.548	7	↓ MOL2 SDF SMILES Flexibase

67236931

Analogs

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Popular Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfan N-[(1R)-1-(4-methoxyphenyl)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)	3.60	9.7	-17.74	2	7	0	89	448.548	7	↓ MOL2 SDF SMILES Flexibase

67236934

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	10.25	-15.94	2	6	0	80	418.522	6	↓ MOL2 SDF SMILES Flexibase

67236953

Analogs

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

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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)	4.07	10.67	-16.49	2	6	0	80	452.967	6	↓ MOL2 SDF SMILES Flexibase

67237029

Analogs

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Popular Name: 2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(p-tolylmethyl)acetamide 2-[[6-methyl-4-oxo-3-(p-tolyl)-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)	3.88	10.93	-15.86	2	6	0	80	432.549	6	↓ MOL2 SDF SMILES Flexibase

67237111

Analogs

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

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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	10.32	-16.85	2	6	0	80	436.512	6	↓ MOL2 SDF SMILES Flexibase

67237144

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl] N-[(4-methoxyphenyl)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)	3.49	9.55	-17.34	2	7	0	89	448.548	7	↓ MOL2 SDF SMILES Flexibase

67237149

Analogs

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

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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)	4.11	10.77	-16.3	2	6	0	80	452.967	6	↓ MOL2 SDF SMILES Flexibase

67237157

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[[6-methyl-4-oxo-3-(p-tolyl)-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)	3.25	9.49	-18.53	2	8	0	98	478.574	8	↓ MOL2 SDF SMILES Flexibase

67237220

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[6-methyl-4-oxo-3-(p-tolyl)-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)	3.08	9.45	-19.62	2	8	0	98	478.574	8	↓ MOL2 SDF SMILES Flexibase

67237246

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-[[6-methyl-4-oxo-3-(p-tolyl)-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)	4.20	10.81	-17.7	2	6	0	80	470.957	6	↓ MOL2 SDF SMILES Flexibase

67237266

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[[6-methyl-4-oxo-3-(p-tolyl)-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)	3.69	10.34	-17.13	2	6	0	80	454.502	6	↓ MOL2 SDF SMILES Flexibase

67237271

Analogs

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Popular Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sul N-[(1S)-1-(4-methoxyphenyl)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)	4.05	10.4	-17.54	2	7	0	89	462.575	7	↓ MOL2 SDF SMILES Flexibase

67237274

Analogs

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Popular Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sul N-[(1R)-1-(4-methoxyphenyl)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)	4.05	10.39	-17.53	2	7	0	89	462.575	7	↓ MOL2 SDF SMILES Flexibase

67237277

Analogs

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

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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	9.65	-14.55	2	6	0	80	422.485	6	↓ MOL2 SDF SMILES Flexibase

67237366

Analogs

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Popular Name: 2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(p-tolylmethyl)ace 2-[[3-(4-fluorophenyl)-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)	3.60	10.32	-14.49	2	6	0	80	436.512	6	↓ MOL2 SDF SMILES Flexibase

67237440

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sul 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)	3.31	9.71	-15.49	2	6	0	80	440.475	6	↓ MOL2 SDF SMILES Flexibase

67237465

Analogs

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Popular Name: 2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-methoxyphenyl) 2-[[3-(4-fluorophenyl)-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)	3.21	8.95	-15.85	2	7	0	89	452.511	7	↓ MOL2 SDF SMILES Flexibase

67237468

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sul 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)	3.83	10.17	-14.92	2	6	0	80	456.93	6	↓ MOL2 SDF SMILES Flexibase

67237479

Analogs

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Popular Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-y 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)	2.97	8.89	-16.94	2	8	0	98	482.537	8	↓ MOL2 SDF SMILES Flexibase

67237541

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-y 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)	2.80	8.84	-18.2	2	8	0	98	482.537	8	↓ MOL2 SDF SMILES Flexibase

67237560

Analogs

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Popular Name: N-[(3-chloro-4-fluoro-phenyl)methyl]-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidi 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)	3.92	10.21	-16.39	2	6	0	80	474.92	6	↓ MOL2 SDF SMILES Flexibase

67237579

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl 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)	3.40	9.73	-15.71	2	6	0	80	458.465	6	↓ MOL2 SDF SMILES Flexibase

67237582

Analogs

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Popular Name: 2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(1S)-1-(4-methoxy 2-[[3-(4-fluorophenyl)-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)	3.77	9.78	-16.16	2	7	0	89	466.538	7	↓ MOL2 SDF SMILES Flexibase

67237586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(1R)-1-(4-methoxy 2-[[3-(4-fluorophenyl)-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)	3.77	9.78	-16.13	2	7	0	89	466.538	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 506306
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 = 506306 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=506306&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "506306"        

    });
</script>

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