ZINC 12

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)	3.91	8.44	-18.22	2	8	0	96	437.525	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.91	9.2	-31.68	3	8	0	97	438.533	7	↓ MOL2 SDF SMILES Flexibase

67236197

Analogs

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

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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)	4.24	8.38	-16.93	2	8	0	102	438.509	8	↓ MOL2 SDF SMILES Flexibase

67236225

Analogs

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3-methoxyphenyl)ac 2-[[3-(2-furylmethyl)-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)	3.84	7.33	-20.21	2	8	0	102	424.482	7	↓ MOL2 SDF SMILES Flexibase

67236228

Analogs

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

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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	9.6	-15.95	2	7	0	93	422.51	7	↓ MOL2 SDF SMILES Flexibase

67236231

Analogs

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

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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)	4.44	8.66	-15.79	2	7	0	93	428.901	6	↓ MOL2 SDF SMILES Flexibase

67236234

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfany N-(2,4-dimethoxyphenyl)-2-[[3-(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)	3.85	6.72	-17.72	2	9	0	111	454.508	8	↓ MOL2 SDF SMILES Flexibase

67236239

Analogs

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[2-(trifluoromethyl 2-[[3-(2-furylmethyl)-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)	4.66	9.28	-15.71	2	7	0	93	462.453	7	↓ MOL2 SDF SMILES Flexibase

67236244

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)	4.36	9.73	-18.84	2	9	0	119	466.519	9	↓ MOL2 SDF SMILES Flexibase

67236245

Analogs

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Popular Name: N-ethyl-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(m-tolyl)ac N-ethyl-2-[[3-(2-furylmethyl)-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)	4.85	11.42	-15.89	1	7	0	84	436.537	7	↓ MOL2 SDF SMILES Flexibase

67236256

Analogs

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Popular Name: N-ethyl-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenyl-acet N-ethyl-2-[[3-(2-furylmethyl)-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)	4.43	10.75	-15.96	1	7	0	84	422.51	7	↓ MOL2 SDF SMILES Flexibase

67236289

Analogs

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

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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)	4.67	9.83	-15.51	2	7	0	93	422.51	7	↓ MOL2 SDF SMILES Flexibase

67236293

Analogs

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Popular Name: methyl 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)	4.11	8.99	-16.93	2	9	0	119	452.492	8	↓ MOL2 SDF SMILES Flexibase

67236304

Analogs

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Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimid N-[2-chloro-5-(trifluoromethyl)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)	5.31	9.65	-16.88	2	7	0	93	496.898	7	↓ MOL2 SDF SMILES Flexibase

67236307

Analogs

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-isopropylphenyl) 2-[[3-(2-furylmethyl)-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)	5.32	9.95	-17.08	2	7	0	93	436.537	7	↓ MOL2 SDF SMILES Flexibase

67236313

Analogs

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-methoxyphenyl)ac 2-[[3-(2-furylmethyl)-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)	3.87	7.32	-18.46	2	8	0	102	424.482	7	↓ MOL2 SDF SMILES Flexibase

67236316

Analogs

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

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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)	3.97	8.1	-18.18	2	7	0	93	412.446	6	↓ MOL2 SDF SMILES Flexibase

67236321

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]s N-(3-chloro-4-methoxy-phenyl)-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)	4.47	7.88	-20.96	2	8	0	102	458.927	7	↓ MOL2 SDF SMILES Flexibase

67236324

Analogs

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(o-tolyl)acetamide 2-[[3-(2-furylmethyl)-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)	4.21	9.05	-16.09	2	7	0	93	408.483	6	↓ MOL2 SDF SMILES Flexibase

67236330

Analogs

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[3-(2-furylmethyl)-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)	4.23	8.83	-16.03	2	7	0	93	408.483	6	↓ MOL2 SDF SMILES Flexibase

67236332

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sul N-(4-bromo-2-fluoro-phenyl)-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)	4.71	8.76	-15.43	2	7	0	93	491.342	6	↓ MOL2 SDF SMILES Flexibase

67236335

Analogs

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

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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	8.55	-18.75	2	7	0	93	428.901	6	↓ MOL2 SDF SMILES Flexibase

67236339

Analogs

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

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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)	4.19	8.51	-15.39	2	8	0	102	438.509	8	↓ MOL2 SDF SMILES Flexibase

67236344

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)	4.49	10.08	-15.71	2	9	0	119	466.519	9	↓ MOL2 SDF SMILES Flexibase

67236347

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]su N-(5-chloro-2-methyl-phenyl)-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)	4.86	9.57	-17.18	2	7	0	93	442.928	6	↓ MOL2 SDF SMILES Flexibase

67236350

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl N-(2,4-dimethylphenyl)-2-[[3-(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)	4.63	9.71	-16.02	2	7	0	93	422.51	6	↓ MOL2 SDF SMILES Flexibase

67236354

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]su N-(2-chloro-4-methyl-phenyl)-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)	4.86	9.44	-14.11	2	7	0	93	442.928	6	↓ MOL2 SDF SMILES Flexibase

67236355

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl N-(2,6-dimethylphenyl)-2-[[3-(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)	3.67	10.01	-16.14	2	7	0	93	422.51	6	↓ MOL2 SDF SMILES Flexibase

67236358

Analogs

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

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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	8.13	-16.28	2	7	0	93	412.446	6	↓ MOL2 SDF SMILES Flexibase

67236359

Analogs

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-methyl-N-phenyl-ace 2-[[3-(2-furylmethyl)-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)	4.05	9.8	-17.57	1	7	0	84	408.483	6	↓ MOL2 SDF SMILES Flexibase

67236363

Analogs

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Popular Name: N-(4-chloro-2-fluoro-phenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]su N-(4-chloro-2-fluoro-phenyl)-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)	4.58	8.66	-15.46	2	7	0	93	446.891	6	↓ MOL2 SDF SMILES Flexibase

67236368

Analogs

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

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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)	4.62	8.66	-17.47	2	7	0	93	473.352	6	↓ MOL2 SDF SMILES Flexibase

67236371

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]su N-(3-fluoro-4-methyl-phenyl)-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)	4.35	8.87	-15.64	2	7	0	93	426.473	6	↓ MOL2 SDF SMILES Flexibase

67236376

Analogs

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-phenyl-acetamide 2-[[3-(2-furylmethyl)-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)	3.81	8.03	-17.37	2	7	0	93	394.456	6	↓ MOL2 SDF SMILES Flexibase

67236379

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfany N-(3,5-dimethoxyphenyl)-2-[[3-(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)	3.85	6.64	-20.1	2	9	0	111	454.508	8	↓ MOL2 SDF SMILES Flexibase

67236385

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3-methylsulfanylph 2-[[3-(2-furylmethyl)-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)	4.22	9.05	-19.87	2	7	0	93	440.55	7	↓ MOL2 SDF SMILES Flexibase

67236389

Analogs

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Popular Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sul N-(2-ethyl-6-methyl-phenyl)-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)	4.14	10.64	-15.85	2	7	0	93	436.537	7	↓ MOL2 SDF SMILES Flexibase

67236395

Analogs

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

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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)	4.49	8.55	-17.56	2	7	0	93	428.901	6	↓ MOL2 SDF SMILES Flexibase

67236398

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl N-(2,5-dimethylphenyl)-2-[[3-(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)	4.63	9.67	-16.04	2	7	0	93	422.51	6	↓ MOL2 SDF SMILES Flexibase

67236401

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2- N-(5-chloro-2,4-dimethoxy-phenyl…

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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	7.29	-19.5	2	9	0	111	488.953	8	↓ MOL2 SDF SMILES Flexibase

67236405

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfany N-(3,4-dimethoxyphenyl)-2-[[3-(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)	3.46	7.23	-20.56	2	9	0	111	454.508	8	↓ MOL2 SDF SMILES Flexibase

67236409

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]su N-(3-chloro-2-methyl-phenyl)-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)	4.84	9.31	-16.65	2	7	0	93	442.928	6	↓ MOL2 SDF SMILES Flexibase

67236422

Analogs

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

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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	8.66	-18.72	2	7	0	93	473.352	6	↓ MOL2 SDF SMILES Flexibase

67236425

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl N-(2,5-difluorophenyl)-2-[[3-(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)	4.06	8.2	-16.94	2	7	0	93	430.436	6	↓ MOL2 SDF SMILES Flexibase

67236428

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

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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)	3.68	8.52	-25.5	2	8	0	110	436.493	7	↓ MOL2 SDF SMILES Flexibase

67236463

Analogs

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

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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	8.53	-20.82	2	8	0	110	436.493	7	↓ MOL2 SDF SMILES Flexibase

67236472

Analogs

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

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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)	3.95	8.1	-19.8	2	7	0	93	412.446	6	↓ MOL2 SDF SMILES Flexibase

67236476

Analogs

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Popular Name: methyl 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)	3.98	8.69	-21.88	2	9	0	119	452.492	8	↓ MOL2 SDF SMILES Flexibase

67236487

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl N-(2,3-dimethylphenyl)-2-[[3-(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)	4.61	9.56	-16.12	2	7	0	93	422.51	6	↓ MOL2 SDF SMILES Flexibase

67236518

Analogs

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Popular Name: 2-[[3-(2-furylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxy-5-methyl 2-[[3-(2-furylmethyl)-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)	4.24	8.25	-15.88	2	8	0	102	438.509	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 506187
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 = 506187 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=506187&filter.purchasability=annotated

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<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', {
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