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ZINC Item

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65319413

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-acetamide 2-[2-(diethylamino)-6-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)	3.72	11.1	-16.43	1	7	0	80	431.587	8	↓ MOL2 SDF SMILES Flexibase

65319414

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-isopropylphenyl)ac 2-[2-(diethylamino)-6-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)	5.23	13.02	-16.15	1	7	0	80	473.668	9	↓ MOL2 SDF SMILES Flexibase

65319415

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]su N-(3-chloro-4-methoxy-phenyl)-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)	4.38	10.95	-19.77	1	8	0	89	496.058	9	↓ MOL2 SDF SMILES Flexibase

65319416

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(3-chlorophenyl)-2-[2-(diethyl…

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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	11.62	-17.66	1	7	0	80	466.032	8	↓ MOL2 SDF SMILES Flexibase

65319417

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(2-chlorophenyl)-2-[2-(diethyl…

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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	11.74	-15.05	1	7	0	80	466.032	8	↓ MOL2 SDF SMILES Flexibase

65319418

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(4-chlorophenyl)-2-[2-(diethyl…

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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)	4.39	11.62	-16.45	1	7	0	80	466.032	8	↓ MOL2 SDF SMILES Flexibase

65319419

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sul N-(5-chloro-2-methyl-phenyl)-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)	4.77	12.46	-17.34	1	7	0	80	480.059	8	↓ MOL2 SDF SMILES Flexibase

65319420

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2,4-dimethylphenyl)a 2-[2-(diethylamino)-6-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)	4.54	12.62	-16.33	1	7	0	80	459.641	8	↓ MOL2 SDF SMILES Flexibase

65319421

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2,4-difluorophenyl)a 2-[2-(diethylamino)-6-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)	3.97	11.27	-14.88	1	7	0	80	467.567	8	↓ MOL2 SDF SMILES Flexibase

65319422

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-fluorophenyl)aceta 2-[2-(diethylamino)-6-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)	3.83	11.21	-15.7	1	7	0	80	449.577	8	↓ MOL2 SDF SMILES Flexibase

65319423

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3,5-dimethoxyphenyl) 2-[2-(diethylamino)-6-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)	3.76	9.71	-19.17	1	9	0	99	491.639	10	↓ MOL2 SDF SMILES Flexibase

65319424

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-fluorophenyl)aceta 2-[2-(diethylamino)-6-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)	3.86	11.17	-18.63	1	7	0	80	449.577	8	↓ MOL2 SDF SMILES Flexibase

65319425

Analogs

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Popular Name: methyl 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)	3.89	11.76	-20.61	1	9	0	106	489.623	10	↓ MOL2 SDF SMILES Flexibase

65319426

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-ethoxyphenyl)aceta 2-[2-(diethylamino)-6-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)	4.15	11.33	-17.27	1	8	0	89	475.64	10	↓ MOL2 SDF SMILES Flexibase

65319427

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-ethylphenyl)acetam 2-[2-(diethylamino)-6-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)	4.58	12.77	-15.88	1	7	0	80	459.641	9	↓ MOL2 SDF SMILES Flexibase

65319428

Analogs

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Popular Name: N-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfany N-(1,3-benzodioxol-5-yl)-2-[2-(d…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	9.77	-20.69	1	9	0	99	475.596	8	↓ MOL2 SDF SMILES Flexibase

65319429

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2,3-dihydro-1,4-benz 2-[2-(diethylamino)-6-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)	3.23	10.25	-20.51	1	9	0	99	489.623	8	↓ MOL2 SDF SMILES Flexibase

65319430

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-methoxy-5-methyl-p 2-[2-(diethylamino)-6-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)	4.15	11.19	-16.48	1	8	0	89	475.64	9	↓ MOL2 SDF SMILES Flexibase

65319431

Analogs

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Popular Name: methyl 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)	4.02	12.06	-16.73	1	9	0	106	489.623	10	↓ MOL2 SDF SMILES Flexibase

65319432

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(3-acetylphenyl)-2-[2-(diethyl…

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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)	3.59	11.5	-24.23	1	8	0	97	473.624	9	↓ MOL2 SDF SMILES Flexibase

65319433

Analogs

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Popular Name: N-(4-acetylphenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acet N-(4-acetylphenyl)-2-[2-(diethyl…

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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	11.5	-19.56	1	8	0	97	473.624	9	↓ MOL2 SDF SMILES Flexibase

65319434

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2,5-difluorophenyl)a 2-[2-(diethylamino)-6-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)	3.97	11.27	-16.14	1	7	0	80	467.567	8	↓ MOL2 SDF SMILES Flexibase

65319435

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(o-tolyl)acetamide 2-[2-(diethylamino)-6-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)	4.12	11.95	-16.32	1	7	0	80	445.614	8	↓ MOL2 SDF SMILES Flexibase

65319436

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3,4-dimethylphenyl)a 2-[2-(diethylamino)-6-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)	4.54	12.32	-16.62	1	7	0	80	459.641	8	↓ MOL2 SDF SMILES Flexibase

65319437

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2,5-dimethoxyphenyl) 2-[2-(diethylamino)-6-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)	3.76	9.8	-18.66	1	9	0	99	491.639	10	↓ MOL2 SDF SMILES Flexibase

65319438

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-methoxyphenyl)acet 2-[2-(diethylamino)-6-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)	3.77	10.39	-17.44	1	8	0	89	461.613	9	↓ MOL2 SDF SMILES Flexibase

65319439

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolyl)acetamide 2-[2-(diethylamino)-6-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)	4.17	11.78	-16.44	1	7	0	80	445.614	8	↓ MOL2 SDF SMILES Flexibase

65319440

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(3-methoxyphenyl)acet 2-[2-(diethylamino)-6-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)	3.75	10.4	-19.19	1	8	0	89	461.613	9	↓ MOL2 SDF SMILES Flexibase

65319441

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-ethylphenyl)acetam 2-[2-(diethylamino)-6-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)	4.63	12.54	-16.35	1	7	0	80	459.641	9	↓ MOL2 SDF SMILES Flexibase

65319442

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[2-(trifluoromethyl)p 2-[2-(diethylamino)-6-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)	4.56	12.35	-15.15	1	7	0	80	499.584	9	↓ MOL2 SDF SMILES Flexibase

65319443

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2,6-dimethylphenyl)a 2-[2-(diethylamino)-6-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)	3.58	12.72	-16.12	1	7	0	80	459.641	8	↓ MOL2 SDF SMILES Flexibase

65319444

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(5-fluoro-2-methyl-ph 2-[2-(diethylamino)-6-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)	4.26	12.02	-18.23	1	7	0	80	463.604	8	↓ MOL2 SDF SMILES Flexibase

65319445

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(4-fluorophenyl)aceta 2-[2-(diethylamino)-6-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)	3.88	11.17	-16.98	1	7	0	80	449.577	8	↓ MOL2 SDF SMILES Flexibase

65319446

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Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sul N-(3-chloro-4-methyl-phenyl)-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)	4.77	12.21	-17.71	1	7	0	80	480.059	8	↓ MOL2 SDF SMILES Flexibase

65319447

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2,4,6-trimethylpheny 2-[2-(diethylamino)-6-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)	3.98	13.38	-16.16	1	7	0	80	473.668	8	↓ MOL2 SDF SMILES Flexibase

65319448

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-[3-(trifluoromethyl)p 2-[2-(diethylamino)-6-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)	4.59	12.11	-18.88	1	7	0	80	499.584	9	↓ MOL2 SDF SMILES Flexibase

65319449

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-methoxyphenyl)acet 2-[2-(diethylamino)-6-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)	3.73	10.51	-16.4	1	8	0	89	461.613	9	↓ MOL2 SDF SMILES Flexibase

65319450

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sul N-(2-chloro-4-methyl-phenyl)-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)	4.77	12.4	-14.92	1	7	0	80	480.059	8	↓ MOL2 SDF SMILES Flexibase

65319451

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]su N-(5-chloro-2-methoxy-phenyl)-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)	4.38	11.03	-16.91	1	8	0	89	496.058	9	↓ MOL2 SDF SMILES Flexibase

65319452

Analogs

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Popular Name: N-benzyl-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-benzyl-2-[2-(diethylamino)-6-i…

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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	11.22	-15.4	1	7	0	80	445.614	9	↓ MOL2 SDF SMILES Flexibase

65319453

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfa N-[(2-chlorophenyl)methyl]-2-[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)	4.05	11.64	-15.9	1	7	0	80	480.059	9	↓ MOL2 SDF SMILES Flexibase

65319454

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(p-tolylmethyl)acetam 2-[2-(diethylamino)-6-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)	3.87	11.9	-15.36	1	7	0	80	459.641	9	↓ MOL2 SDF SMILES Flexibase

65319455

Analogs

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Popular Name: N-[(4-chlorophenyl)methyl]-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfa N-[(4-chlorophenyl)methyl]-2-[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)	4.10	11.74	-15.81	1	7	0	80	480.059	9	↓ MOL2 SDF SMILES Flexibase

65319456

Analogs

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Popular Name: N-cyclohexyl-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide N-cyclohexyl-2-[2-(diethylamino)…

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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)	3.92	10.89	-15.29	1	7	0	80	437.635	8	↓ MOL2 SDF SMILES Flexibase

65319457

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanylacetamide 2-[2-(diethylamino)-6-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)	1.64	5.88	-16.23	2	7	0	94	355.489	7	↓ MOL2 SDF SMILES Flexibase

65319458

Analogs

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Popular Name: 2-(diethylamino)-6-isopropyl-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanyl-th 2-(diethylamino)-6-isopropyl-5-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	12.67	-17.57	0	8	0	81	487.651	7	↓ MOL2 SDF SMILES Flexibase

65319459

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sul N-(3-chloro-4-fluoro-phenyl)-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)	4.49	11.67	-18.82	1	7	0	80	484.022	8	↓ MOL2 SDF SMILES Flexibase

65319460

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(2-ethoxyphenyl)aceta 2-[2-(diethylamino)-6-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)	4.10	11.45	-16.14	1	8	0	89	475.64	10	↓ MOL2 SDF SMILES Flexibase

65319461

Analogs

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Popular Name: 2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-N-(m-tolyl)acetamide 2-[2-(diethylamino)-6-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)	4.14	11.78	-16.55	1	7	0	80	445.614	8	↓ MOL2 SDF SMILES Flexibase

65319462

Analogs

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Popular Name: N-(4-butylphenyl)-2-[2-(diethylamino)-6-isopropyl-7-oxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl-aceta N-(4-butylphenyl)-2-[2-(diethyla…

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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)	5.58	14.1	-16.18	1	7	0	80	487.695	11	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 389115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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