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67257983

Analogs

Draw Identity 99% 90% 80% 70%

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

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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

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

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

Draw Identity 99% 90% 80% 70%

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

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

Analogs

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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

Analogs

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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

Analogs

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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

Draw Identity 99% 90% 80% 70%

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

Analogs

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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

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

Analogs

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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

Analogs

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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

67258074

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(4-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)	4.68	12.6	-16.37	0	4	0	44	382.872	3	↓ MOL2 SDF SMILES Flexibase

67258078

Analogs

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Popular Name: 1-[(2,5-difluorophenyl)methyl]-3-(o-tolyl)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)	4.26	12.23	-17.57	0	4	0	44	384.407	3	↓ MOL2 SDF SMILES Flexibase

67258081

Analogs

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Popular Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3-(o-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(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)	4.75	12.38	-14.02	0	4	0	44	400.862	3	↓ MOL2 SDF SMILES Flexibase

67258083

Analogs

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Popular Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-3-(o-tolyl)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)	4.15	11.46	-22.28	0	5	0	53	396.443	4	↓ MOL2 SDF SMILES Flexibase

67258086

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Popular Name: 3-(o-tolyl)-1-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(o-tolyl)-1-[[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)	4.88	13.1	-19.8	0	4	0	44	416.424	4	↓ MOL2 SDF SMILES Flexibase

67258088

Analogs

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Popular Name: 1-[(3,4-difluorophenyl)methyl]-3-(o-tolyl)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)	4.26	12.2	-20.68	0	4	0	44	384.407	3	↓ MOL2 SDF SMILES Flexibase

67258093

Analogs

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Popular Name: 3-(o-tolyl)-1-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(o-tolyl)-1-[[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)	4.85	13.28	-14.43	0	4	0	44	416.424	4	↓ MOL2 SDF SMILES Flexibase

67258101

Analogs

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Popular Name: 1-benzyl-3-(m-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-benzyl-3-(m-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)	4.03	11.68	-16.51	0	4	0	44	348.427	3	↓ MOL2 SDF SMILES Flexibase

67258104

Analogs

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Popular Name: 3-(m-tolyl)-1-(o-tolylmethyl)thieno[3,2-d]pyrimidine-2,4-dione 3-(m-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)	4.43	12.58	-15.73	0	4	0	44	362.454	3	↓ MOL2 SDF SMILES Flexibase

67258106

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Popular Name: 3-(m-tolyl)-1-(m-tolylmethyl)thieno[3,2-d]pyrimidine-2,4-dione 3-(m-tolyl)-1-(m-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	12.35	-16.59	0	4	0	44	362.454	3	↓ MOL2 SDF SMILES Flexibase

67258109

Analogs

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Popular Name: 3-(m-tolyl)-1-(p-tolylmethyl)thieno[3,2-d]pyrimidine-2,4-dione 3-(m-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)	4.48	12.35	-16.55	0	4	0	44	362.454	3	↓ MOL2 SDF SMILES Flexibase

67258112

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Popular Name: 1-[(2,5-dimethylphenyl)methyl]-3-(m-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)	4.85	13.26	-15.75	0	4	0	44	376.481	3	↓ MOL2 SDF SMILES Flexibase

67258115

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Popular Name: 1-[(3,4-dimethylphenyl)methyl]-3-(m-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)	4.85	12.89	-16.67	0	4	0	44	376.481	3	↓ MOL2 SDF SMILES Flexibase

67258117

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Popular Name: 1-[(4-tert-butylphenyl)methyl]-3-(m-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)	5.74	14	-16.19	0	4	0	44	404.535	4	↓ MOL2 SDF SMILES Flexibase

67258120

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Popular Name: 3-(m-tolyl)-1-[(4-vinylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione 3-(m-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)	4.88	12.76	-16.84	0	4	0	44	374.465	4	↓ MOL2 SDF SMILES Flexibase

67258123

Analogs

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Popular Name: 1-[(3-methoxyphenyl)methyl]-3-(m-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(3-methoxyphenyl)methyl]-3-(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)	4.06	10.98	-19.8	0	5	0	53	378.453	4	↓ MOL2 SDF SMILES Flexibase

67258126

Analogs

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Popular Name: 1-[(4-methoxyphenyl)methyl]-3-(m-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(4-methoxyphenyl)methyl]-3-(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)	4.09	10.98	-17.35	0	5	0	53	378.453	4	↓ MOL2 SDF SMILES Flexibase

67258134

Analogs

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Popular Name: 3-[[3-(m-tolyl)-2,4-dioxo-thieno[3,2-d]pyrimidin-1-yl]methyl]benzonitrile 3-[[3-(m-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)	3.76	12.07	-22.16	0	5	0	68	373.437	3	↓ MOL2 SDF SMILES Flexibase

67258137

Analogs

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Popular Name: 1-[(2-fluorophenyl)methyl]-3-(m-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(2-fluorophenyl)methyl]-3-(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)	4.14	11.76	-20.56	0	4	0	44	366.417	3	↓ MOL2 SDF SMILES Flexibase

67258139

Analogs

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Popular Name: 1-[(3-fluorophenyl)methyl]-3-(m-tolyl)thieno[3,2-d]pyrimidine-2,4-dione 1-[(3-fluorophenyl)methyl]-3-(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)	4.17	11.74	-19.47	0	4	0	44	366.417	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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