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ZINC Item

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13008306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-6-(4-methoxyphenyl)thieno[2,3-e]pyrimidin-4-amine N-allyl-6-(4-methoxyphenyl)thien…

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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	8.03	-7.52	1	4	0	47	297.383	5	↓ MOL2 SDF SMILES Flexibase

62666544

Analogs

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Popular Name: 4-chloro-6-(5-fluoro-2-methyl-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(5-fluoro-2-methyl-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)	4.56	8.58	-5.53	0	2	0	26	278.739	1	↓ MOL2 SDF SMILES Flexibase

63008102

Analogs

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Popular Name: 4-chloro-6-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3,4,5-trifluoropheny…

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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)	4.37	8.06	-6.3	0	2	0	26	300.692	1	↓ MOL2 SDF SMILES Flexibase

37288165

Analogs

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Popular Name: 6-(5-bromo-2-chloro-phenyl)-4-chloro-thieno[3,2-d]pyrimidine 6-(5-bromo-2-chloro-phenyl)-4-ch…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	9	-4.84	0	2	0	26	360.063	1	↓ MOL2 SDF SMILES Flexibase

37337840

Analogs

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Popular Name: 4-chloro-6-[3-(difluoromethoxy)phenyl]thieno[3,2-d]pyrimidine 4-chloro-6-[3-(difluoromethoxy)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)	4.61	7.46	-7.65	0	3	0	35	312.728	3	↓ MOL2 SDF SMILES Flexibase

37337844

Analogs

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Popular Name: 6-(2-bromo-5-methoxy-phenyl)-4-chloro-thieno[3,2-d]pyrimidine 6-(2-bromo-5-methoxy-phenyl)-4-c…

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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)	4.81	7.73	-6	0	3	0	35	355.644	2	↓ MOL2 SDF SMILES Flexibase

37337846

Analogs

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Popular Name: 4-chloro-6-(4-chloro-2-nitro-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(4-chloro-2-nitro-phe…

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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)	4.58	8.91	-9.45	0	5	0	72	326.164	2	↓ MOL2 SDF SMILES Flexibase

37337848

Analogs

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Popular Name: 4-chloro-6-(4-methoxy-3-nitro-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(4-methoxy-3-nitro-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)	3.96	8.67	-13.26	0	6	0	81	321.745	3	↓ MOL2 SDF SMILES Flexibase

37337852

Analogs

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Popular Name: 4-chloro-6-(3-methyl-4-nitro-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3-methyl-4-nitro-phe…

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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)	4.35	9.2	-8.34	0	5	0	72	305.746	2	↓ MOL2 SDF SMILES Flexibase

37337854

Analogs

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Popular Name: 4-chloro-6-(2-chloro-4-fluoro-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2-chloro-4-fluoro-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)	4.79	8.42	-5.25	0	2	0	26	299.157	1	↓ MOL2 SDF SMILES Flexibase

37337856

Analogs

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Popular Name: 4-chloro-6-(3,5-dimethylphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3,5-dimethylphenyl)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)	4.84	9.2	-5.02	0	2	0	26	274.776	1	↓ MOL2 SDF SMILES Flexibase

37337860

Analogs

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Popular Name: 4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3-methoxyphenyl)thie…

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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)	4.05	7.17	-6.68	0	3	0	35	276.748	2	↓ MOL2 SDF SMILES Flexibase

37337862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-(3-fluoro-4-methyl-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3-fluoro-4-methyl-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)	4.56	8.58	-5.8	0	2	0	26	278.739	1	↓ MOL2 SDF SMILES Flexibase

37337864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-(3,5-dimethoxyphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3,5-dimethoxyphenyl)…

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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	6.48	-6.84	0	4	0	44	306.774	3	↓ MOL2 SDF SMILES Flexibase

37337866

Analogs

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Popular Name: 4-chloro-6-(2,4-dichlorophenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,4-dichlorophenyl)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)	5.30	8.86	-4.94	0	2	0	26	315.612	1	↓ MOL2 SDF SMILES Flexibase

37337868

Analogs

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Popular Name: 4-chloro-6-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3,4-dimethoxyphenyl)…

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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)	3.66	7.09	-8.4	0	4	0	44	306.774	3	↓ MOL2 SDF SMILES Flexibase

37337870

Analogs

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Popular Name: 4-chloro-6-(2,3-dimethylphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,3-dimethylphenyl)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)	4.82	8.93	-5.08	0	2	0	26	274.776	1	↓ MOL2 SDF SMILES Flexibase

37337872

Analogs

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Popular Name: 4-chloro-6-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine 4-chloro-6-[2-(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)	4.87	8.68	-7.51	0	2	0	26	314.719	2	↓ MOL2 SDF SMILES Flexibase

37337874

Analogs

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Popular Name: 4-chloro-6-(2,4-dimethylphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,4-dimethylphenyl)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)	4.84	9.18	-4.97	0	2	0	26	274.776	1	↓ MOL2 SDF SMILES Flexibase

37337876

Analogs

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Popular Name: 6-(2-bromo-5-fluoro-phenyl)-4-chloro-thieno[3,2-d]pyrimidine 6-(2-bromo-5-fluoro-phenyl)-4-ch…

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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)	4.92	8.52	-5.15	0	2	0	26	343.608	1	↓ MOL2 SDF SMILES Flexibase

37337878

Analogs

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Popular Name: 6-(4-tert-butylphenyl)-4-chloro-thieno[3,2-d]pyrimidine 6-(4-tert-butylphenyl)-4-chloro-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.72	10.19	-4.73	0	2	0	26	302.83	2	↓ MOL2 SDF SMILES Flexibase

37337880

Analogs

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Popular Name: 4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3,5-dichlorophenyl)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)	5.30	8.88	-4.28	0	2	0	26	315.612	1	↓ MOL2 SDF SMILES Flexibase

37337884

Analogs

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Popular Name: 4-chloro-6-(2-nitrophenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2-nitrophenyl)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)	3.93	8.39	-11.72	0	5	0	72	291.719	2	↓ MOL2 SDF SMILES Flexibase

37337888

Analogs

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Popular Name: 4-chloro-6-(2,3-dimethoxyphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,3-dimethoxyphenyl)…

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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)	3.84	7.35	-8.08	0	4	0	44	306.774	3	↓ MOL2 SDF SMILES Flexibase

37337890

Analogs

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Popular Name: 4-chloro-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine 4-chloro-6-[4-(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)	4.91	8.88	-5.8	0	2	0	26	314.719	2	↓ MOL2 SDF SMILES Flexibase

37337892

Analogs

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Popular Name: 6-(4-butoxyphenyl)-4-chloro-thieno[3,2-d]pyrimidine 6-(4-butoxyphenyl)-4-chloro-thie…

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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)	5.51	9.69	-5.75	0	3	0	35	318.829	5	↓ MOL2 SDF SMILES Flexibase

37337894

Analogs

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Popular Name: 4-chloro-6-(4-ethylphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(4-ethylphenyl)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)	4.93	9.32	-4.93	0	2	0	26	274.776	2	↓ MOL2 SDF SMILES Flexibase

37337896

Analogs

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Popular Name: 4-chloro-6-(2,5-dimethylphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,5-dimethylphenyl)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)	4.84	9.04	-5	0	2	0	26	274.776	1	↓ MOL2 SDF SMILES Flexibase

37337900

Analogs

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Popular Name: 4-chloro-6-(3-methoxy-4-methyl-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3-methoxy-4-methyl-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)	4.45	7.92	-6.11	0	3	0	35	290.775	2	↓ MOL2 SDF SMILES Flexibase

37337902

Analogs

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Popular Name: 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3,4-difluorophenyl)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)	4.27	7.99	-6.57	0	2	0	26	282.702	1	↓ MOL2 SDF SMILES Flexibase

37337904

Analogs

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Popular Name: 4-chloro-6-(5-chloro-2-methoxy-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(5-chloro-2-methoxy-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)	4.68	7.87	-6.41	0	3	0	35	311.193	2	↓ MOL2 SDF SMILES Flexibase

37337905

Analogs

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Popular Name: 4-chloro-6-[2-(difluoromethoxy)phenyl]thieno[3,2-d]pyrimidine 4-chloro-6-[2-(difluoromethoxy)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)	4.58	7.63	-7.85	0	3	0	35	312.728	3	↓ MOL2 SDF SMILES Flexibase

37337907

Analogs

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Popular Name: 4-chloro-6-(2,4,6-trimethylphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,4,6-trimethylpheny…

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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)	5.22	9.72	-4.73	0	2	0	26	288.803	1	↓ MOL2 SDF SMILES Flexibase

37337909

Analogs

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Popular Name: 4-chloro-6-(3,5-difluorophenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3,5-difluorophenyl)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)	4.27	8.01	-4.74	0	2	0	26	282.702	1	↓ MOL2 SDF SMILES Flexibase

37337911

Analogs

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Popular Name: 4-chloro-6-(2,6-difluorophenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,6-difluorophenyl)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)	4.25	8.09	-7.55	0	2	0	26	282.702	1	↓ MOL2 SDF SMILES Flexibase

37337913

Analogs

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Popular Name: 4-chloro-6-(3,4-dimethylphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(3,4-dimethylphenyl)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)	4.84	9.09	-5.23	0	2	0	26	274.776	1	↓ MOL2 SDF SMILES Flexibase

37337915

Analogs

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Popular Name: 4-chloro-6-(2,6-dimethoxyphenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,6-dimethoxyphenyl)…

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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	6.68	-8.93	0	4	0	44	306.774	3	↓ MOL2 SDF SMILES Flexibase

37337917

Analogs

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Popular Name: 4-chloro-6-(5-chloro-2-fluoro-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(5-chloro-2-fluoro-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)	4.79	8.53	-5.34	0	2	0	26	299.157	1	↓ MOL2 SDF SMILES Flexibase

37337919

Analogs

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Popular Name: 4-chloro-6-(2,5-dichlorophenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,5-dichlorophenyl)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)	5.30	8.9	-4.93	0	2	0	26	315.612	1	↓ MOL2 SDF SMILES Flexibase

37337921

Analogs

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Popular Name: 4-chloro-6-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine 4-chloro-6-[3-(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)	4.89	8.87	-6.67	0	2	0	26	314.719	2	↓ MOL2 SDF SMILES Flexibase

37337923

Analogs

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Popular Name: 4-chloro-6-(2,6-dichlorophenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2,6-dichlorophenyl)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)	5.28	8.86	-6.29	0	2	0	26	315.612	1	↓ MOL2 SDF SMILES Flexibase

37337925

Analogs

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Popular Name: 4-chloro-6-(2-chloro-6-fluoro-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2-chloro-6-fluoro-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)	4.76	8.47	-6.9	0	2	0	26	299.157	1	↓ MOL2 SDF SMILES Flexibase

37337929

Analogs

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Popular Name: 6-(4-bromo-2-fluoro-phenyl)-4-chloro-thieno[3,2-d]pyrimidine 6-(4-bromo-2-fluoro-phenyl)-4-ch…

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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)	4.92	8.64	-5.32	0	2	0	26	343.608	1	↓ MOL2 SDF SMILES Flexibase

37337931

Analogs

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Popular Name: 4-chloro-6-(4-methyl-3-nitro-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(4-methyl-3-nitro-phe…

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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)	4.35	9.2	-10.33	0	5	0	72	305.746	2	↓ MOL2 SDF SMILES Flexibase

37337933

Analogs

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Popular Name: 4-chloro-6-(2-methyl-6-nitro-phenyl)thieno[3,2-d]pyrimidine 4-chloro-6-(2-methyl-6-nitro-phe…

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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)	4.33	9.03	-11.48	0	5	0	72	305.746	2	↓ MOL2 SDF SMILES Flexibase

67944154

Analogs

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Popular Name: N-[3-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropyl]acetamide N-[3-[6-(4-fluorophenyl)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)	3.52	8.66	-13.2	1	4	0	55	361.467	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 37605
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 37605 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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