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ZINC Item

Suppliers, Protomers, & Similar Substances

44018805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-1H-thieno[3,2-d]pyrimidine-2,4-dione 7-bromo-1H-thieno[3,2-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)	1.58	-1.39	-39.05	1	4	-1	69	246.065	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.13	0.49	-8.3	2	4	0	66	247.073	0	↓ MOL2 SDF SMILES Flexibase

8980357

Analogs

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Popular Name: 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-9-thia-3,5-diazabicyclo[4.3.0]nona-4,7,10-tr 4-[[1-(3,4-dimethylphenyl)tetraz…

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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)	3.05	-0.13	-16.39	1	7	0	89	370.463	4	↓ MOL2 SDF SMILES Flexibase

29144532

Analogs

43403895

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Popular Name: 3-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one 3-[(3-isopropyl-1,2,4-oxadiazol-…

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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)	1.54	4.88	-15.92	0	6	0	74	276.321	3	↓ MOL2 SDF SMILES Flexibase

29144536

Analogs

43403895

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-one 3-[(3-ethyl-1,2,4-oxadiazol-5-yl…

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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)	1.06	4.43	-16.05	0	6	0	74	262.294	3	↓ MOL2 SDF SMILES Flexibase

44993390

Analogs

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Popular Name: 2-[[[(2S)-2-(1-piperidyl)propyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(2S)-2-(1-piperidyl)propyl]…

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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)	1.68	5.33	-43.85	3	5	1	62	307.443	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.13	2.71	-53.87	2	5	0	65	306.435	5	↓ MOL2 SDF SMILES Flexibase

44993392

Analogs

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Popular Name: 2-[[[(2R)-2-(1-piperidyl)propyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(2R)-2-(1-piperidyl)propyl]…

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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)	1.68	5.5	-42.84	3	5	1	62	307.443	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.13	2.88	-54.86	2	5	0	65	306.435	5	↓ MOL2 SDF SMILES Flexibase

35626085

Analogs

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Popular Name: 2-[[4-[(1S)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-[(1S)-1-hydroxyethyl]pheno…

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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)	2.07	3.42	-16.2	2	5	0	75	302.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.52	1.03	-53.76	1	5	-1	78	301.347	4	↓ MOL2 SDF SMILES Flexibase

35626086

Analogs

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Popular Name: 2-[[4-[(1R)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[4-[(1R)-1-hydroxyethyl]pheno…

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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)	2.07	3.38	-16.17	2	5	0	75	302.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.52	1	-53.96	1	5	-1	78	301.347	4	↓ MOL2 SDF SMILES Flexibase

35626749

Analogs

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Popular Name: 2-[[2-[(1S)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-[(1S)-1-hydroxyethyl]pheno…

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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	3.52	-15.39	2	5	0	75	302.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.47	1.14	-52.61	1	5	-1	78	301.347	4	↓ MOL2 SDF SMILES Flexibase

35626750

Analogs

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Popular Name: 2-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-[(1R)-1-hydroxyethyl]pheno…

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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	3.51	-15.4	2	5	0	75	302.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.47	1.13	-52.16	1	5	-1	78	301.347	4	↓ MOL2 SDF SMILES Flexibase

35627520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[3-[(1S)-1-hydroxyethyl]pheno…

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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)	2.04	3.41	-15.68	2	5	0	75	302.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.50	1.03	-53.07	1	5	-1	78	301.347	4	↓ MOL2 SDF SMILES Flexibase

35627521

Analogs

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Popular Name: 2-[[3-[(1R)-1-hydroxyethyl]phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[3-[(1R)-1-hydroxyethyl]pheno…

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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)	2.04	3.37	-15.7	2	5	0	75	302.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.50	1	-52.89	1	5	-1	78	301.347	4	↓ MOL2 SDF SMILES Flexibase

52888340

Analogs

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Popular Name: 3-benzyl-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one 3-benzyl-2-[(5-ethyl-1,2,4-oxadi…

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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)	3.57	8.38	-13.96	0	6	0	74	384.486	6	↓ MOL2 SDF SMILES Flexibase

52891214

Analogs

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Popular Name: 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-methyl-thieno[3,2-d]pyrimidin-4-one 2-[(5-cyclopropyl-1,2,4-oxadiazo…

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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)	1.77	5.44	-13.89	0	6	0	74	320.399	4	↓ MOL2 SDF SMILES Flexibase

52907368

Analogs

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Popular Name: 2-[[methyl-[(1R)-1-(p-tolyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[methyl-[(1R)-1-(p-tolyl)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)	3.06	7.37	-10.9	1	4	0	49	313.426	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.52	6.69	-43.59	1	4	0	53	313.426	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.06	9.41	-47.63	2	4	1	50	314.434	4	↓ MOL2 SDF SMILES Flexibase

52907369

Analogs

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Popular Name: 2-[[methyl-[(1S)-1-(p-tolyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[methyl-[(1S)-1-(p-tolyl)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)	3.06	7.41	-11.86	1	4	0	49	313.426	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.52	6.69	-44.07	1	4	0	53	313.426	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.06	9.39	-49.91	2	4	1	50	314.434	4	↓ MOL2 SDF SMILES Flexibase

52918833

Analogs

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Popular Name: 3-[2-(2-aminophenyl)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(2-aminophenyl)ethyl]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)	2.05	6.92	-12.71	2	4	0	61	271.345	3	↓ MOL2 SDF SMILES Flexibase

53299356

Analogs

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Popular Name: 3-(3-oxo-3-piperazin-1-yl-propyl)thieno[3,2-d]pyrimidin-4-one 3-(3-oxo-3-piperazin-1-yl-propyl…

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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)	-0.27	5.06	-56.7	2	6	1	72	293.372	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.27	3.76	-16.86	1	6	0	67	292.364	3	↓ MOL2 SDF SMILES Flexibase

18970968

Analogs

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Popular Name: 2-(3-benzyl-4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-prop-2-ynyl-acetamide 2-(3-benzyl-4-oxo-6-phenyl-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)	4.51	12.01	-14.16	1	5	0	64	445.569	7	↓ MOL2 SDF SMILES Flexibase

53398290

Analogs

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Popular Name: N-(2-naphthyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide N-(2-naphthyl)-2-(4-oxothieno[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)	2.80	9.02	-22.92	1	5	0	64	335.388	3	↓ MOL2 SDF SMILES Flexibase

53529274

Analogs

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Popular Name: 3-[2-[(4-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[(4-methylcyclohexyl)amino]…

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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)	2.27	8.06	-53.81	2	4	1	52	292.428	4	↓ MOL2 SDF SMILES Flexibase

53529278

Analogs

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Popular Name: 3-[2-(2-pyridylmethylamino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(2-pyridylmethylamino)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)	0.83	6.47	-52.04	2	5	1	64	287.368	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.83	5.1	-14.54	1	5	0	60	286.36	5	↓ MOL2 SDF SMILES Flexibase

53529282

Analogs

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Popular Name: 3-[2-(4-fluoroanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(4-fluoroanilino)ethyl]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)	2.46	7.19	-15.92	1	4	0	47	289.335	4	↓ MOL2 SDF SMILES Flexibase

53529285

Analogs

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Popular Name: 3-[2-(2-bromoanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(2-bromoanilino)ethyl]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)	3.06	7.84	-14.08	1	4	0	47	350.241	4	↓ MOL2 SDF SMILES Flexibase

53529287

Analogs

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Popular Name: 3-[2-(2-chloroanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(2-chloroanilino)ethyl]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)	2.92	7.71	-14.14	1	4	0	47	305.79	4	↓ MOL2 SDF SMILES Flexibase

53529292

Analogs

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Popular Name: 3-[2-(2-thienylmethylamino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(2-thienylmethylamino)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)	1.90	7.4	-54.12	2	4	1	52	292.409	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.90	6.05	-13.15	1	4	0	47	291.401	5	↓ MOL2 SDF SMILES Flexibase

53529296

Analogs

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Popular Name: 3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1S,2R)-2-methylcyclohexy…

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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)	2.74	8.14	-51.72	2	4	1	52	292.428	4	↓ MOL2 SDF SMILES Flexibase

53529300

Analogs

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Popular Name: 3-[2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1S,2S)-2-methylcyclohexy…

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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)	2.74	8.34	-51.67	2	4	1	52	292.428	4	↓ MOL2 SDF SMILES Flexibase

53529305

Analogs

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Popular Name: 3-[2-[[(1R,2R)-2-methylcyclohexyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1R,2R)-2-methylcyclohexy…

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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)	2.74	8.34	-51.69	2	4	1	52	292.428	4	↓ MOL2 SDF SMILES Flexibase

53529307

Analogs

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Popular Name: 3-[2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1R,2S)-2-methylcyclohexy…

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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)	2.74	8.14	-52.79	2	4	1	52	292.428	4	↓ MOL2 SDF SMILES Flexibase

53529317

Analogs

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Popular Name: 3-[2-(butylamino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(butylamino)ethyl]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)	1.68	6.81	-52.99	2	4	1	52	252.363	6	↓ MOL2 SDF SMILES Flexibase

53529322

Analogs

42410342

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R)-1-methylpropyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1R)-1-methylpropyl]amino…

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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)	1.81	6.62	-49.82	2	4	1	52	252.363	5	↓ MOL2 SDF SMILES Flexibase

53529325

Analogs

42410342

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1S)-1-methylpropyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1S)-1-methylpropyl]amino…

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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)	1.81	6.61	-49.55	2	4	1	52	252.363	5	↓ MOL2 SDF SMILES Flexibase

53529329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1S)-2-methoxy-1-methyl-e…

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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)	0.91	5.02	-48.15	2	5	1	61	268.362	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.91	3.77	-12.71	1	5	0	56	267.354	6	↓ MOL2 SDF SMILES Flexibase

53529332

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R)-2-methoxy-1-methyl-ethyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1R)-2-methoxy-1-methyl-e…

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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)	0.91	5.01	-51.22	2	5	1	61	268.362	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.91	3.78	-13.2	1	5	0	56	267.354	6	↓ MOL2 SDF SMILES Flexibase

53529337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(3-methylanilino)ethyl]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)	2.72	7.78	-14.99	1	4	0	47	285.372	4	↓ MOL2 SDF SMILES Flexibase

53529342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(2S)-tetrahydrofuran-2-yl]methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(2S)-tetrahydrofuran-2-yl…

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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)	0.62	5.64	-49.99	2	5	1	61	280.373	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	4.21	-13.28	1	5	0	56	279.365	5	↓ MOL2 SDF SMILES Flexibase

53529346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(2R)-tetrahydrofuran-2-yl…

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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)	0.62	5.65	-52.42	2	5	1	61	280.373	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.62	4.31	-14.04	1	5	0	56	279.365	5	↓ MOL2 SDF SMILES Flexibase

53529350

Analogs

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Popular Name: 3-[2-(4-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(4-methylanilino)ethyl]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)	2.74	7.79	-14.94	1	4	0	47	285.372	4	↓ MOL2 SDF SMILES Flexibase

53529353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(4-chloroanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(4-chloroanilino)ethyl]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)	2.97	7.64	-15.15	1	4	0	47	305.79	4	↓ MOL2 SDF SMILES Flexibase

53529356

Analogs

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Popular Name: 3-[2-(2-fluoroanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(2-fluoroanilino)ethyl]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)	2.41	7.21	-14.87	1	4	0	47	289.335	4	↓ MOL2 SDF SMILES Flexibase

53529362

Analogs

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Popular Name: 3-[4-(propylamino)butyl]thieno[3,2-d]pyrimidin-4-one 3-[4-(propylamino)butyl]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)	1.67	7.58	-50.72	2	4	1	52	266.39	7	↓ MOL2 SDF SMILES Flexibase

53529366

Analogs

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Popular Name: 3-[4-(isopropylamino)butyl]thieno[3,2-d]pyrimidin-4-one 3-[4-(isopropylamino)butyl]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)	1.81	7.36	-48.62	2	4	1	52	266.39	6	↓ MOL2 SDF SMILES Flexibase

53529371

Analogs

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Popular Name: 3-[4-(cyclopropylamino)butyl]thieno[3,2-d]pyrimidin-4-one 3-[4-(cyclopropylamino)butyl]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)	1.50	7.55	-48.79	2	4	1	52	264.374	6	↓ MOL2 SDF SMILES Flexibase

53529372

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(tert-butylamino)butyl]thieno[3,2-d]pyrimidin-4-one 3-[4-(tert-butylamino)butyl]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)	2.32	7.79	-47.73	2	4	1	52	280.417	6	↓ MOL2 SDF SMILES Flexibase

53529376

Analogs

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Popular Name: 3-[4-(isobutylamino)butyl]thieno[3,2-d]pyrimidin-4-one 3-[4-(isobutylamino)butyl]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)	1.91	8.26	-50.7	2	4	1	52	280.417	7	↓ MOL2 SDF SMILES Flexibase

53529381

Analogs

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Popular Name: 3-[4-(2-methoxyethylamino)butyl]thieno[3,2-d]pyrimidin-4-one 3-[4-(2-methoxyethylamino)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)	0.77	5.96	-50.4	2	5	1	61	282.389	8	↓ MOL2 SDF SMILES Flexibase

53529386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-aminobutyl)thieno[3,2-d]pyrimidin-4-one 3-(4-aminobutyl)thieno[3,2-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)	0.16	4.1	-54.91	3	4	1	63	224.309	4	↓ MOL2 SDF SMILES Flexibase

53529389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(3-chloroanilino)ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-(3-chloroanilino)ethyl]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)	2.95	7.63	-15.61	1	4	0	47	305.79	4	↓ MOL2 SDF SMILES Flexibase

53529393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[[(1R)-1-methylbutyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one 3-[2-[[(1R)-1-methylbutyl]amino]…

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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)	2.37	7.38	-51.02	2	4	1	52	266.39	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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