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ZINC Item

Suppliers, Protomers, & Similar Substances

52879995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic (2R)-2-phenyl-2-(thieno[2,3-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)	2.55	9.21	-53.03	1	5	-1	78	298.347	4	↓ MOL2 SDF SMILES Flexibase

52879996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propanoic (2S)-2-phenyl-2-(thieno[2,3-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)	2.55	9.21	-53.02	1	5	-1	78	298.347	4	↓ MOL2 SDF SMILES Flexibase

52899327

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine N-[[4-(2-aminoethyl)phenyl]methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	6.49	-52.25	4	4	1	65	285.396	5	↓ MOL2 SDF SMILES Flexibase

52926034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-aminophenyl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine N-[(3-aminophenyl)methyl]-5,6-di…

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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)	2.33	7.14	-8.23	3	4	0	64	284.388	3	↓ MOL2 SDF SMILES Flexibase

52926035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-aminophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine N-[(3-aminophenyl)methyl]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)	1.73	5.54	-7.8	3	4	0	64	256.334	3	↓ MOL2 SDF SMILES Flexibase

52926036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-aminophenyl)methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-amine N-[(3-aminophenyl)methyl]-6-ethy…

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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)	2.52	7.13	-7.33	3	4	0	64	284.388	4	↓ MOL2 SDF SMILES Flexibase

11813670

Analogs

12128704
14986812
15072584

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,3-dimethoxyphenyl)methylamino]-N-isopropyl-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-[(2,3-dimethoxyphenyl)methylam…

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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	-2.23	-11.27	2	7	0	85	400.504	7	↓ MOL2 SDF SMILES Flexibase

11995353

Analogs

12030877
12125147
12450041
11880225

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-4-[(2-methoxyphenyl)methylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide N-tert-butyl-4-[(2-methoxyphenyl…

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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)	3.68	-2.29	-8.86	2	6	0	76	384.505	6	↓ MOL2 SDF SMILES Flexibase

12001423

Analogs

12001430

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-hydroxybutyl]-4-[(3-methoxyphenyl)methylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxam N-[(2R)-2-hydroxybutyl]-4-[(3-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)	2.75	-5.6	-9.96	3	7	0	96	400.504	8	↓ MOL2 SDF SMILES Flexibase

12001430

Analogs

12001423

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-hydroxybutyl]-4-[(3-methoxyphenyl)methylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxam N-[(2S)-2-hydroxybutyl]-4-[(3-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)	2.75	-5.67	-10	3	7	0	96	400.504	8	↓ MOL2 SDF SMILES Flexibase

12030877

Analogs

12125147
12450041
11995353
11880225

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-[(2-methoxyphenyl)methylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide N-isopropyl-4-[(2-methoxyphenyl)…

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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)	3.17	-2.65	-9.33	2	6	0	76	370.478	6	↓ MOL2 SDF SMILES Flexibase

12037726

Analogs

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Popular Name: N-(2-diethylaminoethyl)-4-[(2-fluorophenyl)methylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxami N-(2-diethylaminoethyl)-4-[(2-fl…

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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)	3.38	-1.69	-42.59	3	6	1	71	416.546	9	↓ MOL2 SDF SMILES Flexibase

12037929

Analogs

12122606

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-4-[(3-methoxyphenyl)methylamino]-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxami N-(2-methoxyethyl)-4-[(3-methoxy…

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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)	2.75	-1.66	-10.3	1	7	0	77	400.504	8	↓ MOL2 SDF SMILES Flexibase

12038675

Analogs

14884083

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,3-dimethoxyphenyl)methylamino]-N-isobutyl-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-[(2,3-dimethoxyphenyl)methylam…

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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)	3.67	-0.34	-11.91	1	7	0	77	428.558	8	↓ MOL2 SDF SMILES Flexibase

12041838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-fluorophenyl)methylamino]-5-methyl-N-(2-methylsulfanylethyl)thieno[4,5-e]pyrimidine-6-carboxam 4-[(2-fluorophenyl)methylamino]-…

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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)	3.13	-2.95	-10.49	2	5	0	67	390.509	7	↓ MOL2 SDF SMILES Flexibase

12212924

Analogs

12212926
14979375

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,3-dimethoxyphenyl)methylamino]-N-[(1S)-2-hydroxy-1-methyl-ethyl]-5-methyl-thieno[4,5-e]pyrimid 4-[(2,3-dimethoxyphenyl)methylam…

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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)	2.00	-4.92	-12.32	3	8	0	106	416.503	8	↓ MOL2 SDF SMILES Flexibase

12212926

Analogs

14979375
12212924

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,3-dimethoxyphenyl)methylamino]-N-[(1R)-2-hydroxy-1-methyl-ethyl]-5-methyl-thieno[4,5-e]pyrimid 4-[(2,3-dimethoxyphenyl)methylam…

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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)	2.00	-4.92	-12.57	3	8	0	106	416.503	8	↓ MOL2 SDF SMILES Flexibase

12217232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,3-dimethoxyphenyl)methylamino]-5-methyl-N-(2-methylsulfanylethyl)thieno[4,5-e]pyrimidine-6-car 4-[(2,3-dimethoxyphenyl)methylam…

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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	-3.15	-12.31	2	7	0	85	432.571	9	↓ MOL2 SDF SMILES Flexibase

12217629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-fluorophenyl)methylamino]-N-isobutyl-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-[(3-fluorophenyl)methylamino]-…

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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)	3.99	-0.07	-9.9	1	5	0	58	386.496	6	↓ MOL2 SDF SMILES Flexibase

12218054

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-[(2-fluorophenyl)methylamino]-…

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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	-3.2	-10.3	2	6	0	76	374.441	7	↓ MOL2 SDF SMILES Flexibase

12218843

Analogs

14975274
11995564

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-[(2-methoxyphenyl)methylamino]-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide N-butyl-4-[(2-methoxyphenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	-0.88	-10.5	1	6	0	67	398.532	8	↓ MOL2 SDF SMILES Flexibase

22357385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N,2,5,6-tetramethyl-thieno[3,2-e]pyrimidin-4-amine N-[(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)	3.76	9.52	-9.82	0	4	0	38	345.443	4	↓ MOL2 SDF SMILES Flexibase

26144130

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(thieno[3,2-e]pyrimidin-4-ylamino)methyl]phenyl]acetamide N-[4-[(thieno[3,2-e]pyrimidin-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)	1.90	6.55	-16.44	2	5	0	67	298.371	4	↓ MOL2 SDF SMILES Flexibase

58542857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]methanol [2-[[(6-ethylthieno[2,3-d]pyrimi…

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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	6.7	-8.06	2	4	0	58	299.399	5	↓ MOL2 SDF SMILES Flexibase

52429361

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[3-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]phenoxy]acetamide N,N-dimethyl-2-[3-[(thieno[2,3-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)	1.62	8.51	-18.04	1	6	0	67	342.424	6	↓ MOL2 SDF SMILES Flexibase

14227429

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	12.19	-40.67	2	6	1	69	399.54	8	↓ MOL2 SDF SMILES Flexibase

52471818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,3-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine N-[(2,3-dimethoxyphenyl)methyl]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)	2.50	7.35	-10.45	1	5	0	56	301.371	5	↓ MOL2 SDF SMILES Flexibase

52473874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine N-[(2,4-dimethoxyphenyl)methyl]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)	2.72	6.3	-9.54	1	5	0	56	301.371	5	↓ MOL2 SDF SMILES Flexibase

63001514

Analogs

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Popular Name: (2S)-2-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (2S)-2-phenyl-2-(thieno[2,3-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)	2.23	5.34	-8.22	2	4	0	58	271.345	4	↓ MOL2 SDF SMILES Flexibase

63001515

Analogs

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Popular Name: (2R)-2-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (2R)-2-phenyl-2-(thieno[2,3-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)	2.23	5.34	-8.18	2	4	0	58	271.345	4	↓ MOL2 SDF SMILES Flexibase

63001516

Analogs

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Popular Name: (2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-ethanol (2R)-2-[(5,6-dimethylthieno[2,3-…

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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)	2.83	6.92	-8.82	2	4	0	58	299.399	4	↓ MOL2 SDF SMILES Flexibase

63001517

Analogs

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Popular Name: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-phenyl-ethanol (2S)-2-[(5,6-dimethylthieno[2,3-…

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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)	2.83	6.95	-8.84	2	4	0	58	299.399	4	↓ MOL2 SDF SMILES Flexibase

65492138

Analogs

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Popular Name: N-[[4-(aminomethyl)phenyl]methyl]-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-amine N-[[4-(aminomethyl)phenyl]methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.93	8.2	-55.12	4	4	1	65	313.45	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.93	7.79	-7.72	3	4	0	64	312.442	5	↓ MOL2 SDF SMILES Flexibase

65506377

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Popular Name: 2-(2-aminoethyl)-5,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine 2-(2-aminoethyl)-5,6-dimethyl-N-…

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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)	1.79	5.57	-57.23	4	6	1	100	405.569	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	5.18	-16.94	3	6	0	98	404.561	6	↓ MOL2 SDF SMILES Flexibase

65506379

Analogs

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Popular Name: 2-(2-aminoethyl)-5,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine 2-(2-aminoethyl)-5,6-dimethyl-N-…

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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)	1.79	5.6	-57.42	4	6	1	100	405.569	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	5.21	-17.13	3	6	0	98	404.561	6	↓ MOL2 SDF SMILES Flexibase

55154973

Analogs

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Popular Name: 2-methyl-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine 2-methyl-N-[(1S)-1-(3,4,5-trimet…

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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)	2.96	7.58	-13.02	1	6	0	66	359.451	6	↓ MOL2 SDF SMILES Flexibase

55154977

Analogs

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Popular Name: 2-methyl-N-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine 2-methyl-N-[(1R)-1-(3,4,5-trimet…

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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)	2.96	7.57	-13.06	1	6	0	66	359.451	6	↓ MOL2 SDF SMILES Flexibase

69770785

Analogs

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Popular Name: 3-[(1S)-1-(thieno[2,3-d]pyrimidin-4-ylamino)propyl]benzenesulfonamide 3-[(1S)-1-(thieno[2,3-d]pyrimidi…

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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	4.27	-15.43	3	6	0	98	348.453	5	↓ MOL2 SDF SMILES Flexibase

69770786

Analogs

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Popular Name: 3-[(1R)-1-(thieno[2,3-d]pyrimidin-4-ylamino)propyl]benzenesulfonamide 3-[(1R)-1-(thieno[2,3-d]pyrimidi…

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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	4.27	-15.85	3	6	0	98	348.453	5	↓ MOL2 SDF SMILES Flexibase

67490382

Analogs

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Popular Name: 4-[[2-(dimethylaminomethyl)phenyl]methyl-methyl-amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic 4-[[2-(dimethylaminomethyl)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)	2.87	11.94	-71.18	1	6	0	74	370.478	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.87	9.98	-48.91	0	6	-1	72	369.47	6	↓ MOL2 SDF SMILES Flexibase

48962830

Analogs

53158892

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Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine N-[(1S)-1-(3-chloro-4-fluoro-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)	4.01	9.07	-9.46	1	3	0	38	307.781	3	↓ MOL2 SDF SMILES Flexibase

48962832

Analogs

53158892

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine N-[(1R)-1-(3-chloro-4-fluoro-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)	4.01	9.07	-9.48	1	3	0	38	307.781	3	↓ MOL2 SDF SMILES Flexibase

48962884

Analogs

8063381

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine N-[(4-methylsulfanylphenyl)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)	3.11	8.69	-8.09	1	3	0	38	287.413	4	↓ MOL2 SDF SMILES Flexibase

49227832

Analogs

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Popular Name: 3-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol 3-[[(6-ethylthieno[2,3-d]pyrimid…

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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)	2.97	6.41	-8.68	2	4	0	58	285.372	4	↓ MOL2 SDF SMILES Flexibase

49320620

Analogs

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Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]thieno[2,3-d]pyrimidin-4-amine N-[(4-bromo-2-chloro-phenyl)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)	4.09	8.73	-7.36	1	3	0	38	354.66	3	↓ MOL2 SDF SMILES Flexibase

49320905

Analogs

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Popular Name: 2-methoxy-5-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]phenol 2-methoxy-5-[(thieno[2,3-d]pyrim…

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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)	2.02	4.81	-10.5	2	5	0	67	287.344	4	↓ MOL2 SDF SMILES Flexibase

49389943

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine N-[(3-nitrophenyl)methyl]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)	2.61	8.38	-12.53	1	6	0	84	286.316	4	↓ MOL2 SDF SMILES Flexibase

37302736

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine N-[(3-fluorophenyl)methyl]-5,6-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)	3.42	9.34	-8.5	1	3	0	38	287.363	3	↓ MOL2 SDF SMILES Flexibase

37308763

Analogs

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Popular Name: 4-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]benzoic 4-[(thieno[2,3-d]pyrimidin-4-yla…

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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	8.24	-50.42	1	5	-1	78	284.32	4	↓ MOL2 SDF SMILES Flexibase

37716780

Analogs

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Popular Name: 3-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]benzoic 3-[(thieno[2,3-d]pyrimidin-4-yla…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.56	8.23	-52.14	1	5	-1	78	284.32	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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