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ZINC Item

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32071145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2,4-dioxo-3-propyl-thieno[3,2-d]pyrimidin-1-yl)acetyl]piperidine-4-carboxamide 1-[2-(2,4-dioxo-3-propyl-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)	0.26	4.87	-28.07	2	8	0	107	378.454	5	↓ MOL2 SDF SMILES Flexibase

32071438

Analogs

34860388

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-phenyl-thieno[3,2-d]pyrimidin-1-yl)acetamide N-(2,5-dimethoxyphenyl)-2-(2,4-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)	2.64	8.39	-27.76	1	8	0	92	437.477	6	↓ MOL2 SDF SMILES Flexibase

32071508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[3-(4-chlorophenyl)-2,4-dioxo-thieno[3,2-d]pyrimidin-1-yl]acetyl]piperidine-4-carboxamide 1-[2-[3-(4-chlorophenyl)-2,4-dio…

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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)	1.33	7.04	-29.96	2	8	0	107	446.916	4	↓ MOL2 SDF SMILES Flexibase

32071532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isopropyl-1-phenacyl-thieno[3,2-d]pyrimidine-2,4-dione 3-isopropyl-1-phenacyl-thieno[3,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.41	9.39	-17.72	0	5	0	61	328.393	4	↓ MOL2 SDF SMILES Flexibase

20237111

Analogs

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Popular Name: 4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carb 4-[(2,4-dioxo-1H-thieno[3,2-d]py…

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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)	3.82	8.84	-18.45	2	6	0	84	451.47	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.27	7.72	-44.87	1	6	-1	87	450.462	5	↓ MOL2 SDF SMILES Flexibase

20237113

Analogs

4169974

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Popular Name: 4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide 4-[(2,4-dioxo-1H-thieno[3,2-d]py…

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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)	3.33	8.07	-18.73	2	7	0	93	427.526	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.79	6.95	-50.43	1	7	-1	96	426.518	6	↓ MOL2 SDF SMILES Flexibase

24987717

Analogs

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Popular Name: 3-(2-Dimethylamino-ethyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione 3-(2-Dimethylamino-ethyl)-1H-thi…

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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)	0.49	4.42	-37.27	2	5	1	59	240.308	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.94	3.29	-41.21	1	5	0	62	239.3	3	↓ MOL2 SDF SMILES Flexibase

24991304

Analogs

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Popular Name: 3-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethyl)-1H-thieno[2,3-e]pyrimidine-2,4-dione 3-(6,7-dihydro-5H-pyrrolo[1,2-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)	0.09	5.58	-22.23	1	7	0	86	289.32	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.55	4.46	-49.1	0	7	-1	89	288.312	2	↓ MOL2 SDF SMILES Flexibase

4169974

Analogs

4790590
9597541
9673477
20237113
3907212

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(2,4-dioxo-9-thia-3,5-diazabicyclo[4.3.0]nona-7,10-dien-3-yl)-N-(4-ethoxyphenyl)-hexanamide 6-(2,4-dioxo-9-thia-3,5-diazabic…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	-2.17	-19.88	2	7	0	93	401.488	9	↓ MOL2 SDF SMILES Flexibase

4169977

Analogs

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Popular Name: 6-(2,4-dioxo-9-thia-3,5-diazabicyclo[4.3.0]nona-7,10-dien-3-yl)-N-(4-fluorophenyl)-hexanamide 6-(2,4-dioxo-9-thia-3,5-diazabic…

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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	-1.44	-19.24	2	6	0	83	375.425	7	↓ MOL2 SDF SMILES Flexibase

67172467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}benzyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione 3-(4-{2-[4-(4-fluorophenyl)piper…

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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)	3.33	11.13	-19.66	1	7	0	78	478.549	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.79	9.3	-54.14	0	7	-1	82	477.541	5	↓ MOL2 SDF SMILES Flexibase

67257976

Analogs

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Popular Name: 1-ethyl-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-ethyl-3-phenyl-thieno[3,2-d]py…

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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)	2.17	8.13	-15.24	0	4	0	44	272.329	2	↓ MOL2 SDF SMILES Flexibase

67257979

Analogs

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Popular Name: 1-phenethyl-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-phenethyl-3-phenyl-thieno[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)	3.60	11.9	-15.79	0	4	0	44	348.427	4	↓ MOL2 SDF SMILES Flexibase

67257983

Analogs

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Popular Name: 1-[(3,4-dimethylphenyl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(3,4-dimethylphenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.22	12.23	-16.44	0	4	0	44	362.454	3	↓ MOL2 SDF SMILES Flexibase

67257985

Analogs

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Popular Name: 1-[(4-tert-butylphenyl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(4-tert-butylphenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.10	13.32	-15.95	0	4	0	44	390.508	4	↓ MOL2 SDF SMILES Flexibase

67257986

Analogs

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Popular Name: 3-phenyl-1-[(4-vinylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-phenyl-1-[(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)	4.24	12.09	-16.64	0	4	0	44	360.438	4	↓ MOL2 SDF SMILES Flexibase

67257989

Analogs

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Popular Name: 1-[(3-methoxyphenyl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(3-methoxyphenyl)methyl]-3-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	10.3	-19.6	0	5	0	53	364.426	4	↓ MOL2 SDF SMILES Flexibase

67257991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-methoxyphenyl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(4-methoxyphenyl)methyl]-3-ph…

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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)	3.45	10.3	-18.07	0	5	0	53	364.426	4	↓ MOL2 SDF SMILES Flexibase

67257997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	9.67	-21.27	0	6	0	62	378.409	3	↓ MOL2 SDF SMILES Flexibase

67258000

Analogs

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Popular Name: 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[[4-(2-oxopyrrolidin-1-yl)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)	2.76	12.12	-20.4	0	6	0	64	417.49	4	↓ MOL2 SDF SMILES Flexibase

67258001

Analogs

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Popular Name: 3-[(2,4-dioxo-3-phenyl-thieno[3,2-d]pyrimidin-1-yl)methyl]benzonitrile 3-[(2,4-dioxo-3-phenyl-thieno[3,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	11.39	-21.9	0	5	0	68	359.41	3	↓ MOL2 SDF SMILES Flexibase

67258004

Analogs

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Popular Name: 1-[(3,5-difluorophenyl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(3,5-difluorophenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	11.14	-16.25	0	4	0	44	370.38	3	↓ MOL2 SDF SMILES Flexibase

67258007

Analogs

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Popular Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(3,5-dimethylisoxazol-4-yl)me…

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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	9.1	-18.37	0	6	0	70	353.403	3	↓ MOL2 SDF SMILES Flexibase

67258009

Analogs

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Popular Name: 1-[(2,5-difluorophenyl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(2,5-difluorophenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	11.15	-17.5	0	4	0	44	370.38	3	↓ MOL2 SDF SMILES Flexibase

67258011

Analogs

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Popular Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(3-fluoro-4-methoxy-phenyl)me…

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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)	3.54	10.37	-22.13	0	5	0	53	382.416	4	↓ MOL2 SDF SMILES Flexibase

67258014

Analogs

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Popular Name: 3-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-phenyl-1-[[3-(trifluoromethyl)…

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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)	4.26	12.02	-19.59	0	4	0	44	402.397	4	↓ MOL2 SDF SMILES Flexibase

67258017

Analogs

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Popular Name: 1-[(3,4-difluorophenyl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(3,4-difluorophenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	11.12	-20.44	0	4	0	44	370.38	3	↓ MOL2 SDF SMILES Flexibase

67258019

Analogs

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Popular Name: 3-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-phenyl-1-[[2-(trifluoromethyl)…

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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	12.18	-14.61	0	4	0	44	402.397	4	↓ MOL2 SDF SMILES Flexibase

67258022

Analogs

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Popular Name: 1-[(2,4-difluorophenyl)methyl]-3-phenyl-thieno[3,2-d]pyrimidine-2,4-dione 1-[(2,4-difluorophenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	11.15	-20.65	0	4	0	44	370.38	3	↓ MOL2 SDF SMILES Flexibase

67258023

Analogs

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Popular Name: 1-ethyl-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-ethyl-3-(o-tolyl)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)	2.79	9.08	-15.42	0	4	0	44	286.356	2	↓ MOL2 SDF SMILES Flexibase

67258025

Analogs

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Popular Name: 3-(o-tolyl)-1-phenethyl-thieno[3,2-d]pyrimidine-2,4-dione 3-(o-tolyl)-1-phenethyl-thieno[3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	12.98	-15.95	0	4	0	44	362.454	4	↓ MOL2 SDF SMILES Flexibase

67258028

Analogs

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Popular Name: 1-benzyl-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-benzyl-3-(o-tolyl)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)	4.00	12.08	-16.41	0	4	0	44	348.427	3	↓ MOL2 SDF SMILES Flexibase

67258031

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Popular Name: 3-(o-tolyl)-1-(o-tolylmethyl)thieno[3,2-d]pyrimidine-2,4-dione 3-(o-tolyl)-1-(o-tolylmethyl)thi…

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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)	4.41	12.91	-15.86	0	4	0	44	362.454	3	↓ MOL2 SDF SMILES Flexibase

67258032

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Popular Name: 1-(m-tolylmethyl)-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-(m-tolylmethyl)-3-(o-tolyl)thi…

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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	12.63	-16.5	0	4	0	44	362.454	3	↓ MOL2 SDF SMILES Flexibase

67258035

Analogs

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Popular Name: 3-(o-tolyl)-1-(p-tolylmethyl)thieno[3,2-d]pyrimidine-2,4-dione 3-(o-tolyl)-1-(p-tolylmethyl)thi…

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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)	4.45	12.63	-16.43	0	4	0	44	362.454	3	↓ MOL2 SDF SMILES Flexibase

67258038

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Popular Name: 1-[(2,5-dimethylphenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(2,5-dimethylphenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.83	13.55	-15.97	0	4	0	44	376.481	3	↓ MOL2 SDF SMILES Flexibase

67258039

Analogs

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Popular Name: 1-[(3,4-dimethylphenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(3,4-dimethylphenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.83	13.3	-16.63	0	4	0	44	376.481	3	↓ MOL2 SDF SMILES Flexibase

67258042

Analogs

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Popular Name: 1-[(4-tert-butylphenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(4-tert-butylphenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.71	14.4	-16.12	0	4	0	44	404.535	4	↓ MOL2 SDF SMILES Flexibase

67258045

Analogs

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Popular Name: 3-(o-tolyl)-1-[(4-vinylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(o-tolyl)-1-[(4-vinylphenyl)me…

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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	13.17	-16.75	0	4	0	44	374.465	4	↓ MOL2 SDF SMILES Flexibase

67258047

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Popular Name: 1-[(3-methoxyphenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(3-methoxyphenyl)methyl]-3-(o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.04	11.38	-19.81	0	5	0	53	378.453	4	↓ MOL2 SDF SMILES Flexibase

67258049

Analogs

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Popular Name: 1-[(4-methoxyphenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(4-methoxyphenyl)methyl]-3-(o…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.06	11.38	-17.35	0	5	0	53	378.453	4	↓ MOL2 SDF SMILES Flexibase

67258051

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Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-(1,3-benzodioxol-5-ylmethyl)-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	10.75	-21.49	0	6	0	62	392.436	3	↓ MOL2 SDF SMILES Flexibase

67258054

Analogs

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Popular Name: 3-(o-tolyl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(o-tolyl)-1-[[4-(2-oxopyrrolid…

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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	13.19	-20.43	0	6	0	64	431.517	4	↓ MOL2 SDF SMILES Flexibase

67258056

Analogs

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Popular Name: 3-[[3-(o-tolyl)-2,4-dioxo-thieno[3,2-d]pyrimidin-1-yl]methyl]benzonitrile 3-[[3-(o-tolyl)-2,4-dioxo-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)	3.74	12.47	-22.06	0	5	0	68	373.437	3	↓ MOL2 SDF SMILES Flexibase

67258059

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Popular Name: 1-[(2-fluorophenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(2-fluorophenyl)methyl]-3-(o-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.12	12.16	-20.46	0	4	0	44	366.417	3	↓ MOL2 SDF SMILES Flexibase

67258063

Analogs

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Popular Name: 1-[(3-fluorophenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(3-fluorophenyl)methyl]-3-(o-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.14	12.15	-19.47	0	4	0	44	366.417	3	↓ MOL2 SDF SMILES Flexibase

67258064

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Popular Name: 1-[(4-fluorophenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(4-fluorophenyl)methyl]-3-(o-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.17	12.15	-17.05	0	4	0	44	366.417	3	↓ MOL2 SDF SMILES Flexibase

67258067

Analogs

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Popular Name: 1-[(3,5-difluorophenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(3,5-difluorophenyl)methyl]-3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	12.22	-16.45	0	4	0	44	384.407	3	↓ MOL2 SDF SMILES Flexibase

67258069

Analogs

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Popular Name: 1-[(2-chlorophenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(2-chlorophenyl)methyl]-3-(o-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	12.41	-17.44	0	4	0	44	382.872	3	↓ MOL2 SDF SMILES Flexibase

67258071

Analogs

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Popular Name: 1-[(3-chlorophenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(3-chlorophenyl)methyl]-3-(o-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.66	12.6	-18.15	0	4	0	44	382.872	3	↓ MOL2 SDF SMILES Flexibase

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