ZINC 12

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ZINC Item

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11990354

Analogs

19983398

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

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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)	1.88	-2.52	-25.14	3	7	0	107	370.434	4	↓ MOL2 SDF SMILES Flexibase

13417127

Analogs

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

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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)	2.61	7.74	-67.54	1	7	-1	104	421.252	4	↓ MOL2 SDF SMILES Flexibase

13417149

Analogs

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Popular Name: 3-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine 3-[2-[[2-chloro-5-(trifluorometh…

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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	8.76	-67.98	1	7	-1	104	444.798	5	↓ MOL2 SDF SMILES Flexibase

13417151

Analogs

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Popular Name: 3-[2-(isopropyl-phenyl-amino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-(isopropyl-phenyl-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)	2.72	10.05	-66.84	0	7	-1	95	384.437	5	↓ MOL2 SDF SMILES Flexibase

13417153

Analogs

1961287
1291103

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]thieno[5,4-d]pyrimidine-6-carboxyl 5-methyl-4-oxo-3-[2-oxo-2-[[3-(t…

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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)	2.68	8.12	-66.71	1	7	-1	104	410.353	5	↓ MOL2 SDF SMILES Flexibase

13417157

Analogs

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

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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)	2.05	8.8	-67.41	0	7	-1	95	356.383	4	↓ MOL2 SDF SMILES Flexibase

13417159

Analogs

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Popular Name: 3-[2-[(3-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxy 3-[2-[(3-chloro-4-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)	2.57	7.69	-70.48	1	7	-1	104	394.791	4	↓ MOL2 SDF SMILES Flexibase

13417161

Analogs

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Popular Name: 3-[2-[(3-acetylphenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(3-acetylphenyl)amino]-2-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)	1.68	7.5	-75.95	1	8	-1	121	384.393	5	↓ MOL2 SDF SMILES Flexibase

13417169

Analogs

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl]thieno[5,4-d]pyrimidine-6-carboxy 5-methyl-4-oxo-3-[2-oxo-2-[[4-(t…

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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	6.91	-67.43	1	8	-1	113	426.352	6	↓ MOL2 SDF SMILES Flexibase

13417171

Analogs

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Popular Name: 3-[2-[(3-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxy 3-[2-[(3-chloro-2-methyl-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)	2.83	8.45	-66.53	1	7	-1	104	390.828	4	↓ MOL2 SDF SMILES Flexibase

13417173

Analogs

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

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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)	2.61	8.52	-68.9	1	7	-1	104	370.41	4	↓ MOL2 SDF SMILES Flexibase

13417175

Analogs

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

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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)	3.09	8.1	-69.66	1	7	-1	104	411.246	4	↓ MOL2 SDF SMILES Flexibase

13417176

Analogs

39697409

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

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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	8.32	-69.04	1	7	-1	104	370.41	4	↓ MOL2 SDF SMILES Flexibase

13417183

Analogs

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Popular Name: 3-[2-[(3-methoxyphenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(3-methoxyphenyl)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)	1.84	6.42	-70.84	1	8	-1	113	372.382	5	↓ MOL2 SDF SMILES Flexibase

13417185

Analogs

39697409

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Popular Name: 5-methyl-3-[2-(m-tolylamino)-2-oxo-ethyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[2-(m-tolylamino)-2-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)	2.23	7.79	-68.62	1	7	-1	104	356.383	4	↓ MOL2 SDF SMILES Flexibase

13417187

Analogs

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Popular Name: 3-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carbox 3-[2-[(2-methoxy-5-methyl-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)	2.24	7.21	-66.8	1	8	-1	113	386.409	5	↓ MOL2 SDF SMILES Flexibase

13417189

Analogs

39697409

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

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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	8.67	-67.61	1	7	-1	104	370.41	4	↓ MOL2 SDF SMILES Flexibase

13417190

Analogs

1961521

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Popular Name: 3-[2-[(5-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxy 3-[2-[(5-chloro-2-methyl-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)	2.86	8.47	-71.06	1	7	-1	104	390.828	4	↓ MOL2 SDF SMILES Flexibase

13417194

Analogs

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

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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)	1.85	5.82	-69.57	1	9	-1	123	402.408	6	↓ MOL2 SDF SMILES Flexibase

13417196

Analogs

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

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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)	3.51	9.43	-66.83	1	7	-1	104	398.464	5	↓ MOL2 SDF SMILES Flexibase

13417197

Analogs

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Popular Name: 3-[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(2-chlorophenyl)amino]-2-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)	2.43	7.76	-65.32	1	7	-1	104	376.801	4	↓ MOL2 SDF SMILES Flexibase

13417201

Analogs

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

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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	7.56	-66.53	1	8	-1	128	367.366	4	↓ MOL2 SDF SMILES Flexibase

13417203

Analogs

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

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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)	2.59	7.75	-69.08	1	7	-1	104	421.252	4	↓ MOL2 SDF SMILES Flexibase

13417205

Analogs

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Popular Name: 5-methyl-3-[2-(o-tolylamino)-2-oxo-ethyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[2-(o-tolylamino)-2-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)	2.20	7.96	-68.63	1	7	-1	104	356.383	4	↓ MOL2 SDF SMILES Flexibase

13417207

Analogs

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Popular Name: 3-[2-[(4-chloro-2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine 3-[2-[(4-chloro-2-methoxy-5-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)	2.84	7.64	-66.05	1	8	-1	113	420.854	5	↓ MOL2 SDF SMILES Flexibase

13417209

Analogs

39697409

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Popular Name: 5-methyl-4-oxo-3-[2-oxo-2-(p-tolylamino)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)	2.25	7.8	-67.5	1	7	-1	104	356.383	4	↓ MOL2 SDF SMILES Flexibase

13417213

Analogs

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

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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	7.24	-71.84	1	7	-1	104	378.336	4	↓ MOL2 SDF SMILES Flexibase

13417215

Analogs

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Popular Name: 3-[2-[(5-chloro-2-cyano-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxyl 3-[2-[(5-chloro-2-cyano-phenyl)a…

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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	8.11	-67.27	1	8	-1	128	401.811	4	↓ MOL2 SDF SMILES Flexibase

13417221

Analogs

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Popular Name: 3-[2-[(4-bromo-3-methyl-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxyl 3-[2-[(4-bromo-3-methyl-phenyl)a…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	8.31	-68.85	1	7	-1	104	435.279	4	↓ MOL2 SDF SMILES Flexibase

13417229

Analogs

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

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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)	1.91	7.48	-67.93	1	8	-1	107	385.425	5	↓ MOL2 SDF SMILES Flexibase

13417231

Analogs

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

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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	7.31	-65.04	1	7	-1	104	378.336	4	↓ MOL2 SDF SMILES Flexibase

13417232

Analogs

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Popular Name: 3-[2-[(4-methoxyphenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(4-methoxyphenyl)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)	1.86	6.4	-68.93	1	8	-1	113	372.382	5	↓ MOL2 SDF SMILES Flexibase

13417234

Analogs

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

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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)	3.09	8.28	-66	1	7	-1	104	411.246	4	↓ MOL2 SDF SMILES Flexibase

13417238

Analogs

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Popular Name: 3-[2-[(4-bromo-2-fluoro-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxyl 3-[2-[(4-bromo-2-fluoro-phenyl)a…

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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)	2.70	7.86	-64.66	1	7	-1	104	439.242	4	↓ MOL2 SDF SMILES Flexibase

13417240

Analogs

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Popular Name: 3-[2-[(2-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxy 3-[2-[(2-chloro-4-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)	2.57	7.79	-64.65	1	7	-1	104	394.791	4	↓ MOL2 SDF SMILES Flexibase

13417245

Analogs

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Popular Name: 3-[2-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimid 3-[2-[[5-(dimethylsulfamoyl)-2-m…

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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)	1.49	5.95	-78.71	1	10	-1	142	463.517	6	↓ MOL2 SDF SMILES Flexibase

13417249

Analogs

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

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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)	2.04	7.35	-68.66	1	7	-1	104	378.336	4	↓ MOL2 SDF SMILES Flexibase

13417254

Analogs

1961278
1291094

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Popular Name: 3-[2-[(2-ethoxyphenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(2-ethoxyphenyl)amino]-2-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)	2.19	7.48	-66.41	1	8	-1	113	386.409	6	↓ MOL2 SDF SMILES Flexibase

13417256

Analogs

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Popular Name: 3-[2-[(3-chloro-4-methoxy-phenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carbox 3-[2-[(3-chloro-4-methoxy-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)	2.47	6.97	-71.61	1	8	-1	113	406.827	5	↓ MOL2 SDF SMILES Flexibase

13417257

Analogs

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

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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)	1.53	7.51	-72.47	1	8	-1	128	367.366	4	↓ MOL2 SDF SMILES Flexibase

13417259

Analogs

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

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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)	1.09	5.11	-72.09	1	10	-1	142	449.49	6	↓ MOL2 SDF SMILES Flexibase

13417266

Analogs

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

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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)	3.09	8.15	-67.34	1	7	-1	104	411.246	4	↓ MOL2 SDF SMILES Flexibase

13417272

Analogs

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

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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)	3.69	8.97	-64.81	1	7	-1	104	445.691	4	↓ MOL2 SDF SMILES Flexibase

13417274

Analogs

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Popular Name: 3-[2-[(4-iodophenyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[2-[(4-iodophenyl)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)	2.89	8.21	-67.23	1	7	-1	104	468.252	4	↓ MOL2 SDF SMILES Flexibase

13417276

Analogs

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Popular Name: 3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine 3-[2-[[4-chloro-3-(trifluorometh…

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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	8.53	-67.07	1	7	-1	104	444.798	5	↓ MOL2 SDF SMILES Flexibase

13417288

Analogs

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Popular Name: 3-[2-[[4-(diethylsulfamoyl)phenyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carbo 3-[2-[[4-(diethylsulfamoyl)pheny…

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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	6.83	-75.37	1	10	-1	142	477.544	8	↓ MOL2 SDF SMILES Flexibase

13417290

Analogs

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Popular Name: 3-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-c 3-[2-[[3,5-bis(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)	3.52	9.14	-68.85	1	7	-1	104	478.35	6	↓ MOL2 SDF SMILES Flexibase

13417294

Analogs

39697409

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

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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	8.45	-68.78	1	7	-1	104	370.41	4	↓ MOL2 SDF SMILES Flexibase

13417296

Analogs

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

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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)	2.60	10.08	-67.04	1	7	-1	104	398.464	6	↓ MOL2 SDF SMILES Flexibase

13417302

Analogs

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Popular Name: 3-[2-[[4-chloro-2-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine 3-[2-[[4-chloro-2-(trifluorometh…

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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	8.88	-62.66	1	7	-1	104	444.798	5	↓ MOL2 SDF SMILES Flexibase

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