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ZINC Item

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19990130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thieno[5,4-d]pyrimidine-6-carboxamide 5-methyl-4-oxo-3-[2-oxo-2-[[(1R)…

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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)	1.31	5.28	-26.38	3	7	0	107	370.434	5	↓ MOL2 SDF SMILES Flexibase

19990133

Analogs

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]thieno[5,4-d]pyrimidine-6-carboxamide 5-methyl-4-oxo-3-[2-oxo-2-[[(1S)…

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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)	1.31	5.29	-27.72	3	7	0	107	370.434	5	↓ MOL2 SDF SMILES Flexibase

19990231

Analogs

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Popular Name: N-[(1R)-1-phenylethyl]-2-(2,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetamide N-[(1R)-1-phenylethyl]-2-(2,5,6-…

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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)	2.56	9.15	-22.06	1	5	0	64	355.463	4	↓ MOL2 SDF SMILES Flexibase

19990234

Analogs

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Popular Name: N-[(1S)-1-phenylethyl]-2-(2,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetamide N-[(1S)-1-phenylethyl]-2-(2,5,6-…

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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)	2.56	9.17	-20.85	1	5	0	64	355.463	4	↓ MOL2 SDF SMILES Flexibase

19990274

Analogs

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Popular Name: N-benzyl-N-methyl-2-(2,5,6-trimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetamide N-benzyl-N-methyl-2-(2,5,6-trime…

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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)	2.25	10.47	-22.51	0	5	0	55	355.463	4	↓ MOL2 SDF SMILES Flexibase

13009658

Analogs

13009660

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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)	3.44	10.39	-18.97	1	7	0	90	447.944	7	↓ MOL2 SDF SMILES Flexibase

13009660

Analogs

13009658

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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)	3.44	10.38	-22.18	1	7	0	90	447.944	7	↓ MOL2 SDF SMILES Flexibase

13417164

Analogs

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Popular Name: 3-[2-(benzyl-methyl-amino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-(benzyl-methyl-amino)-2-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)	1.75	9.29	-66.39	0	7	-1	95	370.41	5	↓ MOL2 SDF SMILES Flexibase

13417179

Analogs

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Popular Name: 3-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(4-chlorophenyl)methylamin…

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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)	2.18	7.75	-65.56	1	7	-1	104	390.828	5	↓ MOL2 SDF SMILES Flexibase

13417181

Analogs

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Popular Name: 3-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(2-methoxyphenyl)methylami…

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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)	1.51	6.56	-67.58	1	8	-1	113	386.409	6	↓ MOL2 SDF SMILES Flexibase

13417236

Analogs

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Popular Name: 3-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(2-chlorophenyl)methylamin…

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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)	2.13	7.64	-67.36	1	7	-1	104	390.828	5	↓ MOL2 SDF SMILES Flexibase

13417307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(benzylamino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-(benzylamino)-2-oxo-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)	1.51	7.23	-65.53	1	7	-1	104	356.383	5	↓ MOL2 SDF SMILES Flexibase

13417352

Analogs

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-4-oxo-3-[2-oxo-2-[[(1R)…

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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)	2.06	8.08	-65.75	1	7	-1	104	370.41	5	↓ MOL2 SDF SMILES Flexibase

13417353

Analogs

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-4-oxo-3-[2-oxo-2-[[(1S)…

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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)	2.06	8.07	-66.89	1	7	-1	104	370.41	5	↓ MOL2 SDF SMILES Flexibase

13417440

Analogs

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Popular Name: 3-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(4-methoxyphenyl)methylami…

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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)	1.56	6.53	-66.97	1	8	-1	113	386.409	6	↓ MOL2 SDF SMILES Flexibase

13417485

Analogs

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Popular Name: 3-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(4-fluorophenyl)methylamin…

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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)	1.67	7.3	-66.13	1	7	-1	104	374.373	5	↓ MOL2 SDF SMILES Flexibase

13417587

Analogs

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Popular Name: 3-[2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(3-chlorophenyl)methylamin…

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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)	2.16	7.73	-66.76	1	7	-1	104	390.828	5	↓ MOL2 SDF SMILES Flexibase

13417602

Analogs

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Popular Name: 3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxy 3-[2-[(2,4-dichlorophenyl)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)	2.79	8.18	-63.96	1	7	-1	104	425.273	5	↓ MOL2 SDF SMILES Flexibase

13417605

Analogs

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Popular Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carbox 3-[2-[(3,4-dimethoxyphenyl)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)	1.15	6.42	-69.18	1	9	-1	123	416.435	7	↓ MOL2 SDF SMILES Flexibase

13417651

Analogs

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Popular Name: 3-[2-(benzyl-tert-butyl-amino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-(benzyl-tert-butyl-amino)-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)	2.94	10.48	-63.4	0	7	-1	95	412.491	6	↓ MOL2 SDF SMILES Flexibase

13417673

Analogs

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Popular Name: 3-[2-(benzyl-isopropyl-amino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-(benzyl-isopropyl-amino)-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)	2.42	10.45	-64.96	0	7	-1	95	398.464	6	↓ MOL2 SDF SMILES Flexibase

13417685

Analogs

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-(p-tolylmethylamino)ethyl]thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-4-oxo-3-[2-oxo-2-(p-tol…

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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)	1.95	7.91	-65.6	1	7	-1	104	370.41	5	↓ MOL2 SDF SMILES Flexibase

13417741

Analogs

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Popular Name: 3-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(3-methoxyphenyl)methylami…

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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)	1.54	6.52	-67.95	1	8	-1	113	386.409	6	↓ MOL2 SDF SMILES Flexibase

13417812

Analogs

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Popular Name: 3-[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[(1S)-2-(benzylamino)-1-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)	1.87	7.1	-57.99	1	7	-1	104	370.41	5	↓ MOL2 SDF SMILES Flexibase

13417814

Analogs

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Popular Name: 3-[(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[(1R)-2-(benzylamino)-1-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)	1.87	7.1	-58.02	1	7	-1	104	370.41	5	↓ MOL2 SDF SMILES Flexibase

13417816

Analogs

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Popular Name: 3-[(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidin 3-[(1R)-2-[(4-methoxyphenyl)meth…

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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)	1.92	6.4	-59.61	1	8	-1	113	400.436	6	↓ MOL2 SDF SMILES Flexibase

13417818

Analogs

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Popular Name: 3-[(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidin 3-[(1S)-2-[(4-methoxyphenyl)meth…

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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)	1.92	6.4	-59.13	1	8	-1	113	400.436	6	↓ MOL2 SDF SMILES Flexibase

13418102

Analogs

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Popular Name: 3-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-car 3-[2-[[(1R)-1-(4-fluorophenyl)et…

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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)	2.23	8.13	-66.35	1	7	-1	104	388.4	5	↓ MOL2 SDF SMILES Flexibase

13418104

Analogs

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Popular Name: 3-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-car 3-[2-[[(1S)-1-(4-fluorophenyl)et…

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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)	2.23	8.14	-67.63	1	7	-1	104	388.4	5	↓ MOL2 SDF SMILES Flexibase

13418138

Analogs

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Popular Name: 5-methyl-3-[2-(methyl-(o-tolylmethyl)amino)-2-oxo-ethyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[2-(methyl-(o-tolylme…

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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)	2.15	10.48	-67.09	0	7	-1	95	384.437	5	↓ MOL2 SDF SMILES Flexibase

13418140

Analogs

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Popular Name: 5-methyl-3-[2-(methyl-(p-tolylmethyl)amino)-2-oxo-ethyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[2-(methyl-(p-tolylme…

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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)	2.20	9.96	-69.78	0	7	-1	95	384.437	5	↓ MOL2 SDF SMILES Flexibase

13418142

Analogs

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Popular Name: 3-[2-[(4-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carb 3-[2-[(4-bromophenyl)methyl-meth…

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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)	2.56	9.91	-69.81	0	7	-1	95	449.306	5	↓ MOL2 SDF SMILES Flexibase

13418143

Analogs

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Popular Name: 3-[2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-car 3-[2-[(4-chlorophenyl)methyl-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)	2.43	9.81	-69.88	0	7	-1	95	404.855	5	↓ MOL2 SDF SMILES Flexibase

13418145

Analogs

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Popular Name: 3-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimi 3-[2-[(2-chloro-6-fluoro-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)	2.50	9.62	-64.81	0	7	-1	95	422.845	5	↓ MOL2 SDF SMILES Flexibase

13418180

Analogs

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-4-oxo-3-[2-oxo-2-[(4-su…

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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)	0.20	2.19	-72.55	3	10	-1	164	435.463	6	↓ MOL2 SDF SMILES Flexibase

13418208

Analogs

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Popular Name: 3-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-car 3-[2-[[(1R)-1-(4-chlorophenyl)et…

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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)	2.74	8.58	-65.84	1	7	-1	104	404.855	5	↓ MOL2 SDF SMILES Flexibase

13418209

Analogs

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Popular Name: 3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-car 3-[2-[[(1S)-1-(4-chlorophenyl)et…

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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)	2.74	8.59	-66.96	1	7	-1	104	404.855	5	↓ MOL2 SDF SMILES Flexibase

13418210

Analogs

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Popular Name: 3-[2-[[(1R)-1-(4-isobutylphenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-c 3-[2-[[(1R)-1-(4-isobutylphenyl)…

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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	10.75	-65.26	1	7	-1	104	426.518	7	↓ MOL2 SDF SMILES Flexibase

13418211

Analogs

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Popular Name: 3-[2-[[(1S)-1-(4-isobutylphenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-c 3-[2-[[(1S)-1-(4-isobutylphenyl)…

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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	10.76	-66.46	1	7	-1	104	426.518	7	↓ MOL2 SDF SMILES Flexibase

13418217

Analogs

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Popular Name: 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-car 3-[2-[[(1R)-1-(2-chlorophenyl)et…

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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)	2.69	8.52	-68.27	1	7	-1	104	404.855	5	↓ MOL2 SDF SMILES Flexibase

13418218

Analogs

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Popular Name: 3-[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-car 3-[2-[[(1S)-1-(2-chlorophenyl)et…

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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)	2.69	8.53	-69.36	1	7	-1	104	404.855	5	↓ MOL2 SDF SMILES Flexibase

13418226

Analogs

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Popular Name: 3-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carb 3-[2-[[(1R)-1-(4-bromophenyl)eth…

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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)	2.87	8.69	-65.73	1	7	-1	104	449.306	5	↓ MOL2 SDF SMILES Flexibase

13418227

Analogs

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Popular Name: 3-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carb 3-[2-[[(1S)-1-(4-bromophenyl)eth…

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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)	2.87	8.69	-66.87	1	7	-1	104	449.306	5	↓ MOL2 SDF SMILES Flexibase

13418228

Analogs

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Popular Name: 3-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6 3-[2-[[(1R)-1-(3,4-dichloropheny…

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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)	3.35	9.05	-65.58	1	7	-1	104	439.3	5	↓ MOL2 SDF SMILES Flexibase

13418229

Analogs

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Popular Name: 3-[2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6 3-[2-[[(1S)-1-(3,4-dichloropheny…

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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)	3.35	9.04	-68.83	1	7	-1	104	439.3	5	↓ MOL2 SDF SMILES Flexibase

13418240

Analogs

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Popular Name: 5-methyl-3-[2-[[(1R)-1-(o-tolyl)ethyl]amino]-2-oxo-ethyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[2-[[(1R)-1-(o-tolyl)…

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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	8.58	-65.79	1	7	-1	104	384.437	5	↓ MOL2 SDF SMILES Flexibase

13418241

Analogs

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Popular Name: 5-methyl-3-[2-[[(1S)-1-(o-tolyl)ethyl]amino]-2-oxo-ethyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[2-[[(1S)-1-(o-tolyl)…

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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	8.65	-66.73	1	7	-1	104	384.437	5	↓ MOL2 SDF SMILES Flexibase

13418242

Analogs

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Popular Name: 3-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carb 3-[2-[[(1R)-1-(2-bromophenyl)eth…

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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)	2.83	8.59	-68.18	1	7	-1	104	449.306	5	↓ MOL2 SDF SMILES Flexibase

13418243

Analogs

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Popular Name: 3-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carb 3-[2-[[(1S)-1-(2-bromophenyl)eth…

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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)	2.83	8.61	-69.25	1	7	-1	104	449.306	5	↓ MOL2 SDF SMILES Flexibase

13418244

Analogs

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Popular Name: 3-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carb 3-[2-[[(1R)-1-(4-ethylphenyl)eth…

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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)	2.98	9.51	-65.49	1	7	-1	104	398.464	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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