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ZINC Item

Suppliers, Protomers, & Similar Substances

35892889

Analogs

Draw Identity 99% 90% 80% 70%

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)	4.28	11.65	-11.66	0	5	0	55	361.511	5	↓ MOL2 SDF SMILES Flexibase

35892896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5,6-dimethyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine 2-ethyl-5,6-dimethyl-4-(1-piperi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.69	9.52	-7.42	0	3	0	29	275.421	2	↓ MOL2 SDF SMILES Flexibase

35892898

Analogs

Draw Identity 99% 90% 80% 70%

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)	3.79	11.05	-11.85	0	5	0	55	347.484	5	↓ MOL2 SDF SMILES Flexibase

11990465

Analogs

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Popular Name: isopropyl isopropyl

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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)	3.62	0.51	-5.5	0	5	0	55	319.43	4	↓ MOL2 SDF SMILES Flexibase

20358124

Analogs

36885748
36892184
3391692
6602703

Draw Identity 99% 90% 80% 70%

Popular Name: (1-Thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanol (1-Thieno[2,3-d]pyrimidin-4-ylpi…

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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	3.32	-8.9	1	4	0	49	249.339	2	↓ MOL2 SDF SMILES Flexibase

12039124

Analogs

31946551

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-5-methyl-4-(1-piperidyl)thieno[4,5-e]pyrimidine-6-carboxamide N,N-diethyl-5-methyl-4-(1-piperi…

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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	0.02	-8.12	0	5	0	49	332.473	4	↓ MOL2 SDF SMILES Flexibase

12040145

Analogs

31946550
31946551

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-ethyl-5-methyl-4-(1-piperidyl)thieno[4,5-e]pyrimidine-6-carboxamide N-(2-diethylaminoethyl)-N-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)	3.64	0.56	-39.73	1	6	1	54	404.604	8	↓ MOL2 SDF SMILES Flexibase

53664074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-(1-thieno[2,3-d]pyrimidin-4-yl-4-piperidyl)methanamine N-methyl-1-(1-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)	2.08	7.09	-46.27	2	4	1	46	263.39	3	↓ MOL2 SDF SMILES Flexibase

53664078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]-N-methyl-methanamine 1-[1-(5,6-dimethylthieno[2,3-d]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)	2.68	8.83	-47.58	2	4	1	46	291.444	3	↓ MOL2 SDF SMILES Flexibase

53664129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]-N-methyl-methanamine 1-[1-(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)	2.88	8.7	-46.02	2	4	1	46	291.444	4	↓ MOL2 SDF SMILES Flexibase

53664438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-thieno[2,3-d]pyrimidin-4-yl-4-piperidyl)methyl]ethanamine N-[(1-thieno[2,3-d]pyrimidin-4-y…

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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)	2.11	7.96	-45.32	2	4	1	46	277.417	4	↓ MOL2 SDF SMILES Flexibase

53664442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]methyl]ethanamine N-[[1-(5,6-dimethylthieno[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)	2.70	9.71	-46.75	2	4	1	46	305.471	4	↓ MOL2 SDF SMILES Flexibase

53664478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]methyl]ethanamine N-[[1-(6-ethylthieno[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)	2.90	9.57	-45.07	2	4	1	46	305.471	5	↓ MOL2 SDF SMILES Flexibase

53664569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-thieno[2,3-d]pyrimidin-4-yl-4-piperidyl)methyl]propan-1-amine N-[(1-thieno[2,3-d]pyrimidin-4-y…

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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	8.71	-46.37	2	4	1	46	291.444	5	↓ MOL2 SDF SMILES Flexibase

53664707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-thieno[2,3-d]pyrimidin-4-yl-4-piperidyl)methyl]propan-2-amine N-[(1-thieno[2,3-d]pyrimidin-4-y…

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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	8.47	-44.08	2	4	1	46	291.444	4	↓ MOL2 SDF SMILES Flexibase

36754896

Analogs

41062

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine 1-(5,6-dimethylthieno[2,3-d]pyri…

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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)	1.39	6.18	-51.45	3	4	1	57	263.39	1	↓ MOL2 SDF SMILES Flexibase

36754901

Analogs

37859951
48462344

Draw Identity 99% 90% 80% 70%

Popular Name: 1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine 1-thieno[2,3-d]pyrimidin-4-ylpip…

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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)	0.79	4.45	-49.9	3	4	1	57	235.336	1	↓ MOL2 SDF SMILES Flexibase

52450287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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)	4.53	7	-9.3	1	6	0	67	334.445	4	↓ MOL2 SDF SMILES Flexibase

62843618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-4-methyl-piperidine-4-carboxylic 1-(6-ethylthieno[2,3-d]pyrimidin…

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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)	2.58	9.61	-51.48	0	5	-1	69	304.395	3	↓ MOL2 SDF SMILES Flexibase

62843758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methyl-piperidine-4-carboxylic 1-(5,6-dimethylthieno[2,3-d]pyri…

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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)	2.38	9.77	-52.05	0	5	-1	69	304.395	2	↓ MOL2 SDF SMILES Flexibase

62843762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-4-carboxylic 4-methyl-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)	1.79	8.01	-52.26	0	5	-1	69	276.341	2	↓ MOL2 SDF SMILES Flexibase

62845822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-4-carboxylic 4-ethyl-1-thieno[2,3-d]pyrimidin…

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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)	2.12	8.5	-51.81	0	5	-1	69	290.368	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.12	6.64	-11.35	1	5	0	66	291.376	3	↓ MOL2 SDF SMILES Flexibase

62846164

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-4-carboxylic 4-propyl-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)	2.68	9.23	-52.03	0	5	-1	69	304.395	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.68	7.4	-11.14	1	5	0	66	305.403	4	↓ MOL2 SDF SMILES Flexibase

62874310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methyl-piperidine-3-carboxylic (3R)-1-(6-ethylthieno[2,3-d]pyri…

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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)	2.58	10	-47.95	0	5	-1	69	304.395	3	↓ MOL2 SDF SMILES Flexibase

62874311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methyl-piperidine-3-carboxylic (3S)-1-(6-ethylthieno[2,3-d]pyri…

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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)	2.58	9.96	-48.12	0	5	-1	69	304.395	3	↓ MOL2 SDF SMILES Flexibase

62874660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-methyl-piperidine-3-carboxylic (3R)-1-(5,6-dimethylthieno[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)	2.38	10.14	-48.83	0	5	-1	69	304.395	2	↓ MOL2 SDF SMILES Flexibase

62874661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-methyl-piperidine-3-carboxylic (3S)-1-(5,6-dimethylthieno[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)	2.38	10.11	-48.18	0	5	-1	69	304.395	2	↓ MOL2 SDF SMILES Flexibase

62874664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-3-carboxylic (3S)-3-methyl-1-thieno[2,3-d]pyr…

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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	8.39	-48.58	0	5	-1	69	276.341	2	↓ MOL2 SDF SMILES Flexibase

62874665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-3-carboxylic (3R)-3-methyl-1-thieno[2,3-d]pyr…

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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	8.36	-48.32	0	5	-1	69	276.341	2	↓ MOL2 SDF SMILES Flexibase

62875122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-3-carboxylic (3S)-3-ethyl-1-thieno[2,3-d]pyri…

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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)	2.12	8.9	-47.63	0	5	-1	69	290.368	3	↓ MOL2 SDF SMILES Flexibase

62875123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-3-carboxylic (3R)-3-ethyl-1-thieno[2,3-d]pyri…

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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)	2.12	9.21	-54.15	0	5	-1	69	290.368	3	↓ MOL2 SDF SMILES Flexibase

62875402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-3-carboxylic (3S)-3-propyl-1-thieno[2,3-d]pyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	9.64	-48.16	0	5	-1	69	304.395	4	↓ MOL2 SDF SMILES Flexibase

62875403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-thieno[2,3-d]pyrimidin-4-yl-piperidine-3-carboxylic (3R)-3-propyl-1-thieno[2,3-d]pyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	9.97	-54.53	0	5	-1	69	304.395	4	↓ MOL2 SDF SMILES Flexibase

65503735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]-N-methyl-acetamide N-[1-(5,6-dimethylthieno[2,3-d]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)	1.90	9.06	-11	0	5	0	49	318.446	2	↓ MOL2 SDF SMILES Flexibase

69830647

Analogs

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Popular Name: N-tert-butyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide N-tert-butyl-1-(5,6-dimethylthie…

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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)	3.19	9.26	-13.68	1	5	0	58	346.5	3	↓ MOL2 SDF SMILES Flexibase

40444374

Analogs

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Popular Name: [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]methanol [1-(5,6-dimethylthieno[2,3-d]pyr…

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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)	2.26	6.26	-8.09	1	4	0	49	277.393	2	↓ MOL2 SDF SMILES Flexibase

70190097

Analogs

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Popular Name: 2-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]-N-methyl-ethanamine 2-[1-(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)	3.33	9.3	-44.72	2	4	1	46	305.471	5	↓ MOL2 SDF SMILES Flexibase

70190203

Analogs

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Popular Name: N-methyl-2-(1-thieno[2,3-d]pyrimidin-4-yl-4-piperidyl)ethanamine N-methyl-2-(1-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)	2.54	7.69	-45.06	2	4	1	46	277.417	4	↓ MOL2 SDF SMILES Flexibase

70190204

Analogs

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Popular Name: 2-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]-N-methyl-ethanamine 2-[1-(5,6-dimethylthieno[2,3-d]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	9.43	-46.05	2	4	1	46	305.471	4	↓ MOL2 SDF SMILES Flexibase

70190219

Analogs

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Popular Name: N-methyl-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]ethanamine N-methyl-2-[1-(6-methylthieno[2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.52	-45.07	2	4	1	46	291.444	4	↓ MOL2 SDF SMILES Flexibase

70194066

Analogs

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Popular Name: N-methyl-2-[(2S)-1-thieno[2,3-d]pyrimidin-4-yl-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-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)	2.47	7.16	-40.92	2	4	1	46	277.417	4	↓ MOL2 SDF SMILES Flexibase

70194067

Analogs

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Popular Name: N-methyl-2-[(2R)-1-thieno[2,3-d]pyrimidin-4-yl-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-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)	2.47	7.16	-40.99	2	4	1	46	277.417	4	↓ MOL2 SDF SMILES Flexibase

70194070

Analogs

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Popular Name: 2-[(2R)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-(5,6-dimethylthieno[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)	3.07	8.9	-41.53	2	4	1	46	305.471	4	↓ MOL2 SDF SMILES Flexibase

70194072

Analogs

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Popular Name: 2-[(2S)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(5,6-dimethylthieno[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)	3.07	8.84	-42.15	2	4	1	46	305.471	4	↓ MOL2 SDF SMILES Flexibase

70194122

Analogs

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Popular Name: N-methyl-2-[(2R)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-(6-methylthie…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.70	8	-40.78	2	4	1	46	291.444	4	↓ MOL2 SDF SMILES Flexibase

70194124

Analogs

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Popular Name: N-methyl-2-[(2S)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-(6-methylthie…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.70	7.98	-40.8	2	4	1	46	291.444	4	↓ MOL2 SDF SMILES Flexibase

70194285

Analogs

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Popular Name: 2-[(2R)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-(6-ethylthieno[2,3-d]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	8.78	-40.57	2	4	1	46	305.471	5	↓ MOL2 SDF SMILES Flexibase

70194287

Analogs

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Popular Name: 2-[(2S)-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-piperidyl]-N-methyl-ethanamine 2-[(2S)-1-(6-ethylthieno[2,3-d]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	8.76	-40.51	2	4	1	46	305.471	5	↓ MOL2 SDF SMILES Flexibase

48963003

Analogs

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Popular Name: N-[(1-thieno[2,3-d]pyrimidin-4-yl-4-piperidyl)methyl]acetamide N-[(1-thieno[2,3-d]pyrimidin-4-y…

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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)	1.44	6.27	-14.56	1	5	0	58	290.392	3	↓ MOL2 SDF SMILES Flexibase

49320461

Analogs

36803801

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Popular Name: N,N-dimethyl-1-[(2S)-1-thieno[2,3-d]pyrimidin-4-yl-2-piperidyl]methanamine N,N-dimethyl-1-[(2S)-1-thieno[2,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.45	8.6	-37.83	1	4	1	33	277.417	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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