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ZINC Item

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53652602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-difluorophenyl)methylsulfanyl]-3-methyl-thieno[3,2-d]pyrimidin-4-one 2-[(2,5-difluorophenyl)methylsul…

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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)	3.58	8.68	-12.03	0	3	0	35	324.377	3	↓ MOL2 SDF SMILES Flexibase

67259647

Analogs

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Popular Name: 2-benzylsulfanyl-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-benzylsulfanyl-3-pentyl-thieno…

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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)	5.27	11.85	-11	0	3	0	35	344.505	7	↓ MOL2 SDF SMILES Flexibase

67259648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(o-tolylmethylsulfanyl)-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-(o-tolylmethylsulfanyl)-3-pent…

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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)	5.67	12.38	-10.9	0	3	0	35	358.532	7	↓ MOL2 SDF SMILES Flexibase

67259650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(m-tolylmethylsulfanyl)-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-(m-tolylmethylsulfanyl)-3-pent…

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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)	5.69	12.51	-11.05	0	3	0	35	358.532	7	↓ MOL2 SDF SMILES Flexibase

67259651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-pentyl-2-(p-tolylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one 3-pentyl-2-(p-tolylmethylsulfany…

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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)	5.72	12.52	-10.99	0	3	0	35	358.532	7	↓ MOL2 SDF SMILES Flexibase

67259653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(2,5-dimethylphenyl)methylsul…

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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)	6.09	13.05	-10.85	0	3	0	35	372.559	7	↓ MOL2 SDF SMILES Flexibase

67259654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(3,4-dimethylphenyl)methylsul…

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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)	6.09	13.05	-10.96	0	3	0	35	372.559	7	↓ MOL2 SDF SMILES Flexibase

67259655

Analogs

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Popular Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(4-tert-butylphenyl)methylsul…

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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)	6.97	14.17	-10.59	0	3	0	35	400.613	8	↓ MOL2 SDF SMILES Flexibase

67259657

Analogs

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Popular Name: 2-[(3-methoxyphenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(3-methoxyphenyl)methylsulfan…

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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)	5.30	11.15	-12.44	0	4	0	44	374.531	8	↓ MOL2 SDF SMILES Flexibase

67259659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methoxyphenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(4-methoxyphenyl)methylsulfan…

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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)	5.33	11.15	-12.4	0	4	0	44	374.531	8	↓ MOL2 SDF SMILES Flexibase

67259664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-oxo-3-pentyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile 3-[(4-oxo-3-pentyl-thieno[3,2-d]…

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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)	5.00	12.23	-15.36	0	4	0	59	369.515	7	↓ MOL2 SDF SMILES Flexibase

67259665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(2-fluorophenyl)methylsulfany…

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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)	5.38	11.88	-12.35	0	3	0	35	362.495	7	↓ MOL2 SDF SMILES Flexibase

67259666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(3-fluorophenyl)methylsulfany…

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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)	5.41	11.92	-12.1	0	3	0	35	362.495	7	↓ MOL2 SDF SMILES Flexibase

67259667

Analogs

6918877

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(4-fluorophenyl)methylsulfany…

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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)	5.43	11.92	-12	0	3	0	35	362.495	7	↓ MOL2 SDF SMILES Flexibase

67259669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,5-difluorophenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(3,5-difluorophenyl)methylsul…

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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)	5.52	11.98	-11.76	0	3	0	35	380.485	7	↓ MOL2 SDF SMILES Flexibase

67259670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(2-chlorophenyl)methylsulfany…

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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)	5.90	12.28	-11.68	0	3	0	35	378.95	7	↓ MOL2 SDF SMILES Flexibase

67259672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(3-chlorophenyl)methylsulfany…

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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)	5.92	12.36	-11.52	0	3	0	35	378.95	7	↓ MOL2 SDF SMILES Flexibase

67259674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(4-chlorophenyl)methylsulfany…

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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)	5.95	12.37	-11.42	0	3	0	35	378.95	7	↓ MOL2 SDF SMILES Flexibase

67259679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,5-difluorophenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(2,5-difluorophenyl)methylsul…

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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)	5.52	11.95	-11.67	0	3	0	35	380.485	7	↓ MOL2 SDF SMILES Flexibase

67259680

Analogs

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Popular Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(2-chloro-6-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)	6.01	12.31	-12.16	0	3	0	35	396.94	7	↓ MOL2 SDF SMILES Flexibase

67259682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-pentyl-thieno[3,2-d]pyrimidin-4-one 2-[(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)	6.04	12.35	-11.87	0	3	0	35	396.94	7	↓ MOL2 SDF SMILES Flexibase

67259716

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-3-methyl-thieno[3,2-d]pyrimidin-4-one 2-[(3,4-dimethylphenyl)methylsul…

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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	9.8	-11.39	0	3	0	35	316.451	3	↓ MOL2 SDF SMILES Flexibase

67259718

Analogs

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Popular Name: 3-methyl-2-[(4-vinylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one 3-methyl-2-[(4-vinylphenyl)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)	4.18	9.67	-11.63	0	3	0	35	314.435	4	↓ MOL2 SDF SMILES Flexibase

67259719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-thieno[3,2-d]pyrimidin-4-one 2-[(4-methoxyphenyl)methylsulfan…

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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)	3.38	7.88	-12.76	0	4	0	44	318.423	4	↓ MOL2 SDF SMILES Flexibase

67259725

Analogs

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Popular Name: 2-[(3,5-difluorophenyl)methylsulfanyl]-3-methyl-thieno[3,2-d]pyrimidin-4-one 2-[(3,5-difluorophenyl)methylsul…

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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)	3.58	8.72	-12.08	0	3	0	35	324.377	3	↓ MOL2 SDF SMILES Flexibase

67259727

Analogs

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Popular Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-methyl-thieno[3,2-d]pyrimidin-4-one 2-[(2-chloro-6-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)	4.07	9.05	-12.45	0	3	0	35	340.832	3	↓ MOL2 SDF SMILES Flexibase

67259729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-3-methyl-thieno[3,2-d]pyrimidin-4-one 2-[(3,4-difluorophenyl)methylsul…

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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)	3.58	8.7	-14.18	0	3	0	35	324.377	3	↓ MOL2 SDF SMILES Flexibase

67259731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2,4-difluorophenyl)methylsulfanyl]-3-methyl-thieno[3,2-d]pyrimidin-4-one 2-[(2,4-difluorophenyl)methylsul…

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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)	3.58	8.68	-12.56	0	3	0	35	324.377	3	↓ MOL2 SDF SMILES Flexibase

67259769

Analogs

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Popular Name: 2-benzylsulfanyl-3-(2-methoxyethyl)thieno[3,2-d]pyrimidin-4-one 2-benzylsulfanyl-3-(2-methoxyeth…

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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	9.01	-13.72	0	4	0	44	332.45	6	↓ MOL2 SDF SMILES Flexibase

67259770

Analogs

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Popular Name: 3-(2-methoxyethyl)-2-(o-tolylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one 3-(2-methoxyethyl)-2-(o-tolylmet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	9.54	-13.61	0	4	0	44	346.477	6	↓ MOL2 SDF SMILES Flexibase

67259772

Analogs

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Popular Name: 3-(2-methoxyethyl)-2-(m-tolylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one 3-(2-methoxyethyl)-2-(m-tolylmet…

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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)	3.73	9.67	-13.66	0	4	0	44	346.477	6	↓ MOL2 SDF SMILES Flexibase

67259774

Analogs

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Popular Name: 3-(2-methoxyethyl)-2-(p-tolylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one 3-(2-methoxyethyl)-2-(p-tolylmet…

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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	9.68	-13.68	0	4	0	44	346.477	6	↓ MOL2 SDF SMILES Flexibase

67259776

Analogs

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Popular Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(2-methoxyethyl)thieno[3,2-d]pyrimidin-4-one 2-[(2,5-dimethylphenyl)methylsul…

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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	10.21	-13.55	0	4	0	44	360.504	6	↓ MOL2 SDF SMILES Flexibase

67259777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-3-(2-methoxyethyl)thieno[3,2-d]pyrimidin-4-one 2-[(3,4-dimethylphenyl)methylsul…

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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	10.23	-13.72	0	4	0	44	360.504	6	↓ MOL2 SDF SMILES Flexibase

67259778

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Popular Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2-methoxyethyl)thieno[3,2-d]pyrimidin-4-one 2-[(4-tert-butylphenyl)methylsul…

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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)	5.02	11.33	-13.33	0	4	0	44	388.558	7	↓ MOL2 SDF SMILES Flexibase

67259780

Analogs

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Popular Name: 3-(2-methoxyethyl)-2-[(4-vinylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one 3-(2-methoxyethyl)-2-[(4-vinylph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.16	10.1	-14	0	4	0	44	358.488	7	↓ MOL2 SDF SMILES Flexibase

67259782

Analogs

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Popular Name: 3-(2-methoxyethyl)-2-[(3-methoxyphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one 3-(2-methoxyethyl)-2-[(3-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	8.31	-15.18	0	5	0	53	362.476	7	↓ MOL2 SDF SMILES Flexibase

67259784

Analogs

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Popular Name: 3-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one 3-(2-methoxyethyl)-2-[(4-methoxy…

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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)	3.37	8.31	-15.15	0	5	0	53	362.476	7	↓ MOL2 SDF SMILES Flexibase

67259785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-3-(2-methoxyethyl)thieno[3,2-d]pyrimidin-4-one 2-[(3,4-difluorophenyl)methylsul…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	9.13	-16.65	0	4	0	44	368.43	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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