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67236621

Analogs

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Popular Name: N,N-diethyl-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N,N-diethyl-2-[(6-methyl-4-oxo-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)	2.58	9.63	-16.28	1	6	0	71	370.478	6	↓ MOL2 SDF SMILES Flexibase

67236623

Analogs

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

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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)	3.02	8.1	-16.25	2	6	0	80	370.478	7	↓ MOL2 SDF SMILES Flexibase

67236653

Analogs

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Popular Name: N-(2-methoxyethyl)-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-(2-methoxyethyl)-2-[(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)	1.57	5.64	-16.92	2	7	0	89	372.45	7	↓ MOL2 SDF SMILES Flexibase

67236659

Analogs

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Popular Name: N-(3-methoxypropyl)-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-(3-methoxypropyl)-2-[(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)	1.84	6.39	-17.11	2	7	0	89	386.477	8	↓ MOL2 SDF SMILES Flexibase

67236661

Analogs

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Popular Name: 2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-methylpropyl]acetami 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)	2.80	8.33	-16.31	2	6	0	80	370.478	6	↓ MOL2 SDF SMILES Flexibase

67236664

Analogs

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Popular Name: 2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-methylpropyl]acetami 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)	2.80	8.33	-16.3	2	6	0	80	370.478	6	↓ MOL2 SDF SMILES Flexibase

67236670

Analogs

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Popular Name: N-isopentyl-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-isopentyl-2-[(6-methyl-4-oxo-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)	3.24	8.61	-16.23	2	6	0	80	384.505	7	↓ MOL2 SDF SMILES Flexibase

67236676

Analogs

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Popular Name: 2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N,N-dipropyl-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)	3.59	11.15	-15.82	1	6	0	71	398.532	8	↓ MOL2 SDF SMILES Flexibase

67236683

Analogs

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Popular Name: N-butyl-N-ethyl-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-butyl-N-ethyl-2-[(6-methyl-4-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)	3.65	11.17	-16.17	1	6	0	71	398.532	8	↓ MOL2 SDF SMILES Flexibase

67236699

Analogs

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Popular Name: N-butyl-N-methyl-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-butyl-N-methyl-2-[(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)	3.27	10.26	-16.67	1	6	0	71	384.505	7	↓ MOL2 SDF SMILES Flexibase

67236809

Analogs

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Popular Name: N-isopropyl-2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide N-isopropyl-2-[(6-methyl-4-oxo-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)	2.26	7.37	-16.43	2	6	0	80	356.451	5	↓ MOL2 SDF SMILES Flexibase

67236864

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	7.87	-15.83	2	6	0	80	370.478	5	↓ MOL2 SDF SMILES Flexibase

67236870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-propyl-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)	2.47	7.33	-16.32	2	6	0	80	356.451	6	↓ MOL2 SDF SMILES Flexibase

67236946

Analogs

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Popular Name: N,N-diethyl-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide N,N-diethyl-2-[[6-methyl-4-oxo-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)	3.03	10.31	-16.14	1	6	0	71	384.505	6	↓ MOL2 SDF SMILES Flexibase

67236947

Analogs

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Popular Name: N-butyl-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide N-butyl-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)	3.47	8.78	-16.11	2	6	0	80	384.505	7	↓ MOL2 SDF SMILES Flexibase

67236987

Analogs

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Popular Name: N-(2-methoxyethyl)-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide N-(2-methoxyethyl)-2-[[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)	2.02	6.32	-16.71	2	7	0	89	386.477	7	↓ MOL2 SDF SMILES Flexibase

67236993

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-[(1R)-1-methylpropyl]acet 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)	3.25	9.01	-16.1	2	6	0	80	384.505	6	↓ MOL2 SDF SMILES Flexibase

67236994

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-[(1S)-1-methylpropyl]acet 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)	3.25	9.01	-16.1	2	6	0	80	384.505	6	↓ MOL2 SDF SMILES Flexibase

67237002

Analogs

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Popular Name: N-isopentyl-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide N-isopentyl-2-[[6-methyl-4-oxo-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)	3.69	9.29	-16.08	2	6	0	80	398.532	7	↓ MOL2 SDF SMILES Flexibase

67237009

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,N-dipropyl-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)	4.04	11.83	-15.67	1	6	0	71	412.559	8	↓ MOL2 SDF SMILES Flexibase

67237016

Analogs

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Popular Name: N-butyl-N-ethyl-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide N-butyl-N-ethyl-2-[[6-methyl-4-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)	4.09	11.85	-16.01	1	6	0	71	412.559	8	↓ MOL2 SDF SMILES Flexibase

67237026

Analogs

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Popular Name: N-butyl-N-methyl-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide N-butyl-N-methyl-2-[[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)	3.72	10.94	-16.44	1	6	0	71	398.532	7	↓ MOL2 SDF SMILES Flexibase

67237132

Analogs

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Popular Name: N-isopropyl-2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide N-isopropyl-2-[[6-methyl-4-oxo-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)	2.71	8.05	-16.23	2	6	0	80	370.478	5	↓ MOL2 SDF SMILES Flexibase

67237200

Analogs

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

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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	8.54	-15.7	2	6	0	80	384.505	5	↓ MOL2 SDF SMILES Flexibase

67237291

Analogs

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

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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)	2.75	9.7	-14.64	1	6	0	71	388.468	6	↓ MOL2 SDF SMILES Flexibase

67237293

Analogs

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Popular Name: N-butyl-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide N-butyl-2-[[3-(4-fluorophenyl)-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)	3.19	8.17	-14.63	2	6	0	80	388.468	7	↓ MOL2 SDF SMILES Flexibase

67237325

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-(2-methoxyethyl)ac 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)	1.74	5.71	-15.22	2	7	0	89	390.44	7	↓ MOL2 SDF SMILES Flexibase

67237332

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-[(1R)-1-methylprop 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)	2.96	8.4	-14.62	2	6	0	80	388.468	6	↓ MOL2 SDF SMILES Flexibase

67237333

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-methylprop 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)	2.96	8.4	-14.66	2	6	0	80	388.468	6	↓ MOL2 SDF SMILES Flexibase

67237341

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,N-dipropyl-acetami 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)	3.75	11.22	-14.26	1	6	0	71	416.522	8	↓ MOL2 SDF SMILES Flexibase

67237344

Analogs

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

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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)	3.81	11.24	-14.52	1	6	0	71	416.522	8	↓ MOL2 SDF SMILES Flexibase

67237362

Analogs

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Popular Name: N-butyl-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-methyl-ace N-butyl-2-[[3-(4-fluorophenyl)-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)	3.43	10.33	-15.02	1	6	0	71	402.495	7	↓ MOL2 SDF SMILES Flexibase

67237454

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-isopropyl-acetamid 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)	2.42	7.44	-14.75	2	6	0	80	374.441	5	↓ MOL2 SDF SMILES Flexibase

67237517

Analogs

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

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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	7.94	-14.18	2	6	0	80	388.468	5	↓ MOL2 SDF SMILES Flexibase

67237525

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-propyl-acetamide 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)	2.63	7.4	-14.7	2	6	0	80	374.441	6	↓ MOL2 SDF SMILES Flexibase

67239395

Analogs

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Popular Name: 2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide 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)	1.38	4.31	-15.52	3	6	0	94	332.36	4	↓ MOL2 SDF SMILES Flexibase

67239398

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.99	7.67	-14.81	2	8	0	106	418.45	8	↓ MOL2 SDF SMILES Flexibase

67239420

Analogs

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Popular Name: 2-[[6-methyl-4-oxo-3-(p-tolyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]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)	1.66	4.92	-16.94	3	6	0	94	328.397	4	↓ MOL2 SDF SMILES Flexibase

67239448

Analogs

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Popular Name: 2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]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)	1.21	4.24	-17.22	3	6	0	94	314.37	4	↓ MOL2 SDF SMILES Flexibase

67239451

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	7.6	-16.48	2	8	0	106	400.46	8	↓ 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 = 506313 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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