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ZINC Item

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14007086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzylsulfanyl-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-benzylsulfanyl-7-(4-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)	4.72	9.6	-11.68	0	4	0	48	379.51	5	↓ MOL2 SDF SMILES Flexibase

14007088

Analogs

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Popular Name: 4-[(3-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(3-fluorophenyl)methylsulfany…

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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)	4.86	9.67	-12.04	0	4	0	48	397.5	5	↓ MOL2 SDF SMILES Flexibase

14007090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(4-fluorophenyl)methylsulfany…

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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)	4.88	9.67	-11.45	0	4	0	48	397.5	5	↓ MOL2 SDF SMILES Flexibase

14007091

Analogs

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Popular Name: 7-(4-methoxyphenyl)-2-methyl-4-(o-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(4-methoxyphenyl)-2-methyl-4-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.12	10.14	-11.72	0	4	0	48	393.537	5	↓ MOL2 SDF SMILES Flexibase

14007093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-chlorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(4-chlorophenyl)methylsulfany…

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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)	5.40	10.12	-11.05	0	4	0	48	413.955	5	↓ MOL2 SDF SMILES Flexibase

14007094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-methoxyphenyl)-2-methyl-4-[(4-nitrophenyl)methylsulfanyl]thiazolo[5,4-d]pyridazine 7-(4-methoxyphenyl)-2-methyl-4-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.68	10.32	-13.95	0	7	0	94	424.507	6	↓ MOL2 SDF SMILES Flexibase

14007096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(2-chloro-6-fluoro-phenyl)met…

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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)	5.47	10.07	-13.99	0	4	0	48	431.945	5	↓ MOL2 SDF SMILES Flexibase

14007098

Analogs

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Popular Name: 7-(4-methoxyphenyl)-2-methyl-4-(m-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(4-methoxyphenyl)-2-methyl-4-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.14	10.27	-11.73	0	4	0	48	393.537	5	↓ MOL2 SDF SMILES Flexibase

14007100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-chlorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(2-chlorophenyl)methylsulfany…

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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)	5.35	10.03	-12.76	0	4	0	48	413.955	5	↓ MOL2 SDF SMILES Flexibase

14007102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(2,5-dimethylphenyl)methylsul…

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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)	5.54	10.81	-11.76	0	4	0	48	407.564	5	↓ MOL2 SDF SMILES Flexibase

14007104

Analogs

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Popular Name: 7-(4-methoxyphenyl)-2-methyl-4-(p-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(4-methoxyphenyl)-2-methyl-4-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.17	10.28	-11.73	0	4	0	48	393.537	5	↓ MOL2 SDF SMILES Flexibase

14007108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(2-fluorophenyl)methylsulfany…

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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)	4.84	9.64	-13.59	0	4	0	48	397.5	5	↓ MOL2 SDF SMILES Flexibase

14007110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-chlorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(3-chlorophenyl)methylsulfany…

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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)	5.37	10.11	-11.56	0	4	0	48	413.955	5	↓ MOL2 SDF SMILES Flexibase

14007112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(4-methoxyphenyl)-2-methyl-4-[(3-nitrophenyl)methylsulfanyl]thiazolo[5,4-d]pyridazine 7-(4-methoxyphenyl)-2-methyl-4-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.66	10.32	-15.56	0	7	0	94	424.507	6	↓ MOL2 SDF SMILES Flexibase

14007171

Analogs

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Popular Name: 4-[(3,5-dimethoxyphenyl)methylsulfanyl]-7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(3,5-dimethoxyphenyl)methylsu…

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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)	4.76	8.21	-13.91	0	6	0	66	439.562	7	↓ MOL2 SDF SMILES Flexibase

14007173

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)	4.89	10.25	-14.22	0	6	0	74	437.546	7	↓ MOL2 SDF SMILES Flexibase

14007293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzylsulfanyl-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-benzylsulfanyl-7-(3-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)	4.70	9.61	-13.82	0	4	0	48	379.51	5	↓ MOL2 SDF SMILES Flexibase

14007296

Analogs

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Popular Name: 4-[(3-fluorophenyl)methylsulfanyl]-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(3-fluorophenyl)methylsulfany…

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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)	4.84	9.67	-14.04	0	4	0	48	397.5	5	↓ MOL2 SDF SMILES Flexibase

14007299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-fluorophenyl)methylsulfanyl]-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(4-fluorophenyl)methylsulfany…

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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)	4.86	9.67	-13.44	0	4	0	48	397.5	5	↓ MOL2 SDF SMILES Flexibase

14007302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(3-methoxyphenyl)-2-methyl-4-(o-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(3-methoxyphenyl)-2-methyl-4-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.10	10.14	-13.81	0	4	0	48	393.537	5	↓ MOL2 SDF SMILES Flexibase

14007305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-chlorophenyl)methylsulfanyl]-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(4-chlorophenyl)methylsulfany…

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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)	5.37	10.13	-13.03	0	4	0	48	413.955	5	↓ MOL2 SDF SMILES Flexibase

14007308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(3-methoxyphenyl)-2-methyl-4-[(4-nitrophenyl)methylsulfanyl]thiazolo[5,4-d]pyridazine 7-(3-methoxyphenyl)-2-methyl-4-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.66	10.32	-15.79	0	7	0	94	424.507	6	↓ MOL2 SDF SMILES Flexibase

14007311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(2-chloro-6-fluoro-phenyl)met…

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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)	5.44	10.07	-16.22	0	4	0	48	431.945	5	↓ MOL2 SDF SMILES Flexibase

14007314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(3-methoxyphenyl)-2-methyl-4-(m-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(3-methoxyphenyl)-2-methyl-4-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.12	10.27	-13.81	0	4	0	48	393.537	5	↓ MOL2 SDF SMILES Flexibase

14007317

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-chlorophenyl)methylsulfanyl]-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(2-chlorophenyl)methylsulfany…

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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)	5.33	10.04	-14.83	0	4	0	48	413.955	5	↓ MOL2 SDF SMILES Flexibase

14007319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(2,5-dimethylphenyl)methylsul…

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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)	5.52	10.81	-13.87	0	4	0	48	407.564	5	↓ MOL2 SDF SMILES Flexibase

14007321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(3-methoxyphenyl)-2-methyl-4-(p-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(3-methoxyphenyl)-2-methyl-4-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.14	10.28	-13.82	0	4	0	48	393.537	5	↓ MOL2 SDF SMILES Flexibase

14007327

Analogs

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Popular Name: 4-[(2-fluorophenyl)methylsulfanyl]-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(2-fluorophenyl)methylsulfany…

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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)	4.81	9.64	-15.7	0	4	0	48	397.5	5	↓ MOL2 SDF SMILES Flexibase

14007330

Analogs

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Popular Name: 4-[(3-chlorophenyl)methylsulfanyl]-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(3-chlorophenyl)methylsulfany…

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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)	5.35	10.12	-13.52	0	4	0	48	413.955	5	↓ MOL2 SDF SMILES Flexibase

14007332

Analogs

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Popular Name: 7-(3-methoxyphenyl)-2-methyl-4-[(3-nitrophenyl)methylsulfanyl]thiazolo[5,4-d]pyridazine 7-(3-methoxyphenyl)-2-methyl-4-[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	10.32	-17.33	0	7	0	94	424.507	6	↓ MOL2 SDF SMILES Flexibase

14007405

Analogs

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Popular Name: 4-[(3,5-dimethoxyphenyl)methylsulfanyl]-7-(3-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(3,5-dimethoxyphenyl)methylsu…

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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)	4.74	8.21	-16.05	0	6	0	66	439.562	7	↓ MOL2 SDF SMILES Flexibase

14007407

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)	4.87	10.25	-16.14	0	6	0	74	437.546	7	↓ MOL2 SDF SMILES Flexibase

14007471

Analogs

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Popular Name: 4-benzylsulfanyl-7-(3,4-dimethoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-benzylsulfanyl-7-(3,4-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)	4.31	9.51	-13.98	0	5	0	57	409.536	6	↓ MOL2 SDF SMILES Flexibase

14007474

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(3,4-dimethoxyphenyl)-4-[(3-fl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	9.58	-14.36	0	5	0	57	427.526	6	↓ MOL2 SDF SMILES Flexibase

14007476

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(3,4-dimethoxyphenyl)-4-[(4-fl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.47	9.58	-13.74	0	5	0	57	427.526	6	↓ MOL2 SDF SMILES Flexibase

14007478

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-2-methyl-4-(o-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(3,4-dimethoxyphenyl)-2-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)	4.71	10.05	-13.96	0	5	0	57	423.563	6	↓ MOL2 SDF SMILES Flexibase

14007480

Analogs

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Popular Name: 4-[(4-chlorophenyl)methylsulfanyl]-7-(3,4-dimethoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(4-chlorophenyl)methylsulfany…

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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)	4.99	10.03	-13.3	0	5	0	57	443.981	6	↓ MOL2 SDF SMILES Flexibase

14007482

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-2-methyl-4-(m-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(3,4-dimethoxyphenyl)-2-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)	4.74	10.18	-13.99	0	5	0	57	423.563	6	↓ MOL2 SDF SMILES Flexibase

14007485

Analogs

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Popular Name: 4-[(2-chlorophenyl)methylsulfanyl]-7-(3,4-dimethoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(2-chlorophenyl)methylsulfany…

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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)	4.94	9.94	-15.02	0	5	0	57	443.981	6	↓ MOL2 SDF SMILES Flexibase

14007487

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-4-[(2,5-dimethylphenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(3,4-dimethoxyphenyl)-4-[(2,5-…

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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)	5.13	10.72	-14.06	0	5	0	57	437.59	6	↓ MOL2 SDF SMILES Flexibase

14007490

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-2-methyl-4-(p-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 7-(3,4-dimethoxyphenyl)-2-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)	4.76	10.19	-13.99	0	5	0	57	423.563	6	↓ MOL2 SDF SMILES Flexibase

14007492

Analogs

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Popular Name: 7-(3,4-dimethoxyphenyl)-4-[(2-fluorophenyl)methylsulfanyl]-2-methyl-thiazolo[5,4-d]pyridazine 7-(3,4-dimethoxyphenyl)-4-[(2-fl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.43	9.55	-15.79	0	5	0	57	427.526	6	↓ MOL2 SDF SMILES Flexibase

14007496

Analogs

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Popular Name: 4-[(3-chlorophenyl)methylsulfanyl]-7-(3,4-dimethoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazine 4-[(3-chlorophenyl)methylsulfany…

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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)	4.96	10.02	-13.78	0	5	0	57	443.981	6	↓ MOL2 SDF SMILES Flexibase

14007870

Analogs

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Popular Name: 4-benzylsulfanyl-2-methyl-7-(p-tolyl)thiazolo[4,5-d]pyridazine 4-benzylsulfanyl-2-methyl-7-(p-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.11	10.99	-11.63	0	3	0	39	363.511	4	↓ MOL2 SDF SMILES Flexibase

14007874

Analogs

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Popular Name: 4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-(p-tolyl)thiazolo[4,5-d]pyridazine 4-[(3-fluorophenyl)methylsulfany…

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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)	5.25	11.05	-11.92	0	3	0	39	381.501	4	↓ MOL2 SDF SMILES Flexibase

14007877

Analogs

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Popular Name: 4-[(4-fluorophenyl)methylsulfanyl]-2-methyl-7-(p-tolyl)thiazolo[4,5-d]pyridazine 4-[(4-fluorophenyl)methylsulfany…

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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)	5.28	11.05	-11.24	0	3	0	39	381.501	4	↓ MOL2 SDF SMILES Flexibase

14007880

Analogs

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Popular Name: 2-methyl-4-(o-tolylmethylsulfanyl)-7-(p-tolyl)thiazolo[4,5-d]pyridazine 2-methyl-4-(o-tolylmethylsulfany…

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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)	5.51	11.52	-11.64	0	3	0	39	377.538	4	↓ MOL2 SDF SMILES Flexibase

14007883

Analogs

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Popular Name: 2-methyl-4-[(4-nitrophenyl)methylsulfanyl]-7-(p-tolyl)thiazolo[4,5-d]pyridazine 2-methyl-4-[(4-nitrophenyl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.07	11.7	-13.62	0	6	0	85	408.508	5	↓ MOL2 SDF SMILES Flexibase

14007887

Analogs

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Popular Name: 2-methyl-4-(m-tolylmethylsulfanyl)-7-(p-tolyl)thiazolo[4,5-d]pyridazine 2-methyl-4-(m-tolylmethylsulfany…

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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)	5.54	11.65	-11.65	0	3	0	39	377.538	4	↓ MOL2 SDF SMILES Flexibase

14007890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-7-(p-tolyl)-4-(p-tolylmethylsulfanyl)thiazolo[5,4-d]pyridazine 2-methyl-7-(p-tolyl)-4-(p-tolylm…

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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)	5.56	11.66	-11.56	0	3	0	39	377.538	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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