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ZINC Item

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53596725

Analogs

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Popular Name: (Z)-6-((1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(3,5-dichlorophenyl)-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)	-0.66	11.7	-45.46	1	5	1	65	432.356	2	↓ MOL2 SDF SMILES Flexibase

53651288

Analogs

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Popular Name: (Z)-5-imino-3-methyl-6-((5-(6-nitrobenzo[d][1,3]dioxol-5-yl)furan-2-yl)methylene)-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-3-methyl-6-((5-(6-ni…

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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	8.55	-49.03	1	10	1	137	425.402	3	↓ MOL2 SDF SMILES Flexibase

53651291

Analogs

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Popular Name: (Z)-6-((2-cyclopropyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((2-cyclopropyl-6-phenylim…

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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)	-2.24	10.63	-58.75	1	7	1	90	433.542	3	↓ MOL2 SDF SMILES Flexibase

53651294

Analogs

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Popular Name: (Z)-6-((2-cyclohexyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((2-cyclohexyl-6-phenylimi…

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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)	-0.70	12.35	-57.18	1	7	1	90	475.623	3	↓ MOL2 SDF SMILES Flexibase

53651297

Analogs

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Popular Name: (Z)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((2,5-dimethyl-1-(o-tolyl)…

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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)	-1.75	11.61	-45.86	1	5	1	65	377.493	2	↓ MOL2 SDF SMILES Flexibase

53651300

Analogs

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Popular Name: (Z)-6-((1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(2,5-dichlorophenyl)-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)	-0.66	11.96	-45.85	1	5	1	65	432.356	2	↓ MOL2 SDF SMILES Flexibase

53651303

Analogs

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Popular Name: (Z)-5-imino-6-((1-(4-isopropylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-6-((1-(4-isopropylph…

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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)	-0.85	12.61	-45.68	1	5	1	65	405.547	3	↓ MOL2 SDF SMILES Flexibase

53651304

Analogs

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Popular Name: (Z)-6-((1-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(5-chloro-2,4-dimethox…

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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)	-1.29	9.97	-48.03	1	7	1	83	457.963	4	↓ MOL2 SDF SMILES Flexibase

53651307

Analogs

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Popular Name: (Z)-6-((1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(3,5-dimethylphenyl)-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)	-1.11	12.09	-46.22	1	5	1	65	391.52	2	↓ MOL2 SDF SMILES Flexibase

53651310

Analogs

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Popular Name: (Z)-6-((1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-benzyl-2,5-dimethyl-1H…

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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	10.88	-46.54	1	5	1	65	377.493	3	↓ MOL2 SDF SMILES Flexibase

53651313

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-phenoxyethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-phenoxyetho…

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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)	-0.65	10.29	-52.17	1	6	1	78	440.932	6	↓ MOL2 SDF SMILES Flexibase

53651316

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-(2,4-dimethylphenoxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(2,4-dimeth…

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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)	0.18	11.67	-52.09	1	6	1	78	468.986	6	↓ MOL2 SDF SMILES Flexibase

53651318

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-(p-tolyloxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(p-tolyloxy…

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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)	-0.20	10.93	-52.18	1	6	1	78	454.959	6	↓ MOL2 SDF SMILES Flexibase

53651321

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-(o-tolyloxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(o-tolyloxy…

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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)	-0.25	11.01	-52.05	1	6	1	78	454.959	6	↓ MOL2 SDF SMILES Flexibase

53651325

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-(4-methoxyphenoxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(4-methoxyp…

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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)	-0.59	9.54	-53.23	1	7	1	87	470.958	7	↓ MOL2 SDF SMILES Flexibase

53651327

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-(2-methoxy-4-methylphenoxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(2-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)	-0.61	10.85	-55.04	1	7	1	87	484.985	7	↓ MOL2 SDF SMILES Flexibase

53651331

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-(m-tolyloxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(m-tolyloxy…

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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)	-0.22	10.93	-52.42	1	6	1	78	454.959	6	↓ MOL2 SDF SMILES Flexibase

53651335

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-(3,5-dimethylphenoxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(3,5-dimeth…

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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)	0.18	11.59	-52.53	1	6	1	78	468.986	6	↓ MOL2 SDF SMILES Flexibase

53651337

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-(2-methoxyphenoxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(2-methoxyp…

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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)	-1.03	10.18	-55.12	1	7	1	87	470.958	7	↓ MOL2 SDF SMILES Flexibase

53651340

Analogs

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Popular Name: (Z)-6-(3-bromo-4-(2-(m-tolyloxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-bromo-4-(2-(m-tolyloxy)…

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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)	-0.09	11.06	-52.2	1	6	1	78	499.41	6	↓ MOL2 SDF SMILES Flexibase

53651344

Analogs

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Popular Name: (Z)-6-(3-bromo-4-(2-(p-tolyloxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-bromo-4-(2-(p-tolyloxy)…

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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)	-0.07	11.05	-52.03	1	6	1	78	499.41	6	↓ MOL2 SDF SMILES Flexibase

53651346

Analogs

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Popular Name: (Z)-6-(3-allyl-5-methoxy-4-(2-phenoxyethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-allyl-5-methoxy-4-(2-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.71	11.73	-53.77	1	7	1	87	476.578	9	↓ MOL2 SDF SMILES Flexibase

53651350

Analogs

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Popular Name: (Z)-6-(3-chloro-4-((4-methylbenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-((4-methylbenz…

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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)	-0.28	11.18	-49.62	1	5	1	69	424.933	4	↓ MOL2 SDF SMILES Flexibase

53651352

Analogs

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Popular Name: (Z)-6-(3-chloro-4-((4-fluorobenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-((4-fluorobenz…

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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)	-0.57	10.61	-50.31	1	5	1	69	428.896	4	↓ MOL2 SDF SMILES Flexibase

53651354

Analogs

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Popular Name: (Z)-6-(4-(benzyloxy)-3-chlorobenzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(4-(benzyloxy)-3-chloroben…

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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)	-0.73	10.54	-49.48	1	5	1	69	410.906	4	↓ MOL2 SDF SMILES Flexibase

53651357

Analogs

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Popular Name: (Z)-6-(3-chloro-4-((2-methylbenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-((2-methylbenz…

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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)	-0.33	11.18	-49.75	1	5	1	69	424.933	4	↓ MOL2 SDF SMILES Flexibase

53651360

Analogs

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Popular Name: (Z)-6-(3-chloro-4-((2,4-dichlorobenzyl)oxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-((2,4-dichloro…

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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)	0.55	11.62	-47.98	1	5	1	69	479.796	4	↓ MOL2 SDF SMILES Flexibase

53651362

Analogs

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Popular Name: (Z)-6-(4-(benzo[d][1,3]dioxol-5-ylmethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(4-(benzo[d][1,3]dioxol-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)	-1.45	8.64	-52.42	1	7	1	87	420.47	4	↓ MOL2 SDF SMILES Flexibase

53651365

Analogs

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Popular Name: (Z)-4-((5-imino-3-methyl-7-oxo-5H-thiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)phenyl thiophene-2-carboxylate (Z)-4-((5-imino-3-methyl-7-oxo-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)	-1.56	9.96	-52.18	1	6	1	86	396.473	4	↓ MOL2 SDF SMILES Flexibase

53651423

Analogs

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Popular Name: (Z)-6-((1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(4-ethylphenyl)-2,5-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)	-1.45	12.19	-45.9	1	5	1	65	391.52	3	↓ MOL2 SDF SMILES Flexibase

53651426

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Popular Name: (Z)-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((2,5-dimethyl-1-(p-tolyl)…

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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	11.42	-46.11	1	5	1	65	377.493	2	↓ MOL2 SDF SMILES Flexibase

53651429

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Popular Name: (Z)-6-((1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(4-chlorophenyl)-2,5-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)	-1.69	11.2	-46	1	5	1	65	397.911	2	↓ MOL2 SDF SMILES Flexibase

53651433

Analogs

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Popular Name: (Z)-6-((1-(2,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(2,4-dimethylphenyl)-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)	-1.33	12.28	-45.71	1	5	1	65	391.52	2	↓ MOL2 SDF SMILES Flexibase

53651435

Analogs

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Popular Name: (Z)-6-((1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(4-ethoxyphenyl)-2,5-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)	-1.93	10.94	-46.23	1	6	1	74	407.519	4	↓ MOL2 SDF SMILES Flexibase

53651438

Analogs

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Popular Name: (Z)-6-((1-(4-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(4-chloro-2-methylphen…

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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)	-1.10	12.12	-45.53	1	5	1	65	411.938	2	↓ MOL2 SDF SMILES Flexibase

53651442

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Popular Name: (Z)-6-((1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(3-chloro-4-methylphen…

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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)	-1.10	11.85	-45.49	1	5	1	65	411.938	2	↓ MOL2 SDF SMILES Flexibase

53651443

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Popular Name: (Z)-5-imino-6-((1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-6-((1-(2-methoxy-5-m…

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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)	-1.51	10.8	-46.55	1	6	1	74	407.519	3	↓ MOL2 SDF SMILES Flexibase

53651446

Analogs

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Popular Name: (Z)-6-((1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(5-chloro-2-methoxyphe…

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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)	-1.28	10.63	-46.96	1	6	1	74	427.937	3	↓ MOL2 SDF SMILES Flexibase

53651449

Analogs

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Popular Name: (Z)-6-((1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(5-chloro-2-methylphen…

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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)	-0.88	12.13	-46.53	1	5	1	65	411.938	2	↓ MOL2 SDF SMILES Flexibase

53651452

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Popular Name: (Z)-6-((1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(3-chloro-2-methylphen…

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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)	-1.12	12.03	-46.02	1	5	1	65	411.938	2	↓ MOL2 SDF SMILES Flexibase

53651457

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Popular Name: (Z)-6-((1-(4-(sec-butyl)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(4-(sec-butyl)phenyl)-…

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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)	-0.51	13.31	-45.73	1	5	1	65	419.574	4	↓ MOL2 SDF SMILES Flexibase

53651460

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Popular Name: (Z)-6-((1-(4-(sec-butyl)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(4-(sec-butyl)phenyl)-…

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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)	-0.51	13.33	-45.69	1	5	1	65	419.574	4	↓ MOL2 SDF SMILES Flexibase

53651470

Analogs

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Popular Name: (Z)-6-(3-chloro-4-(2-(3-methoxyphenoxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(3-methoxyp…

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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)	-0.61	9.56	-54.5	1	7	1	87	470.958	7	↓ MOL2 SDF SMILES Flexibase

53651474

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Popular Name: (Z)-6-(3-chloro-4-(2-(2,5-dimethylphenoxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(2,5-dimeth…

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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)	0.18	11.67	-52.11	1	6	1	78	468.986	6	↓ MOL2 SDF SMILES Flexibase

53651478

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Popular Name: (Z)-6-(3-chloro-4-(2-(2,6-dimethylphenoxy)ethoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(2-(2,6-dimeth…

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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)	0.15	11.68	-51.41	1	6	1	78	468.986	6	↓ MOL2 SDF SMILES Flexibase

53651480

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Popular Name: (Z)-6-(3-chloro-4-(3-phenoxypropoxy)benzylidene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-chloro-4-(3-phenoxyprop…

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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)	-0.38	10.9	-51.41	1	6	1	78	454.959	7	↓ MOL2 SDF SMILES Flexibase

53651483

Analogs

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Popular Name: (Z)-6-((1-(4-ethoxyphenyl)-1H-pyrrol-2-yl)methylene)-5-imino-3-methyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((1-(4-ethoxyphenyl)-1H-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)	-2.06	9.94	-47.03	1	6	1	74	379.465	4	↓ MOL2 SDF SMILES Flexibase

57281661

Analogs

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Popular Name: (Z)-5-imino-3-phenyl-6-((5-phenylfuran-2-yl)methylene)-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-5-imino-3-phenyl-6-((5-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)	-0.60	12.46	-44.73	1	5	1	73	398.467	3	↓ MOL2 SDF SMILES Flexibase

57281662

Analogs

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Popular Name: (Z)-6-((5-(2-chlorophenyl)furan-2-yl)methylene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((5-(2-chlorophenyl)furan-…

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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)	0.03	12.83	-43.77	1	5	1	73	432.912	3	↓ MOL2 SDF SMILES Flexibase

57281665

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Popular Name: (Z)-6-((5-(4-chlorophenyl)furan-2-yl)methylene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-((5-(4-chlorophenyl)furan-…

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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)	0.08	13.03	-43.77	1	5	1	73	432.912	3	↓ 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

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