ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

13010476

Analogs

36656584
36656588

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-butylphenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(4-butylphenyl)-2-[7-(2-furyl)…

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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)	3.67	8.95	-22.16	1	7	0	90	422.51	7	↓ MOL2 SDF SMILES Flexibase

13010478

Analogs

36656564

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-furyl)-2-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thiazolo[4,5-d]pyridazin-4-one 7-(2-furyl)-2-methyl-5-[2-oxo-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)	1.94	7.1	-22.94	0	8	0	84	435.509	4	↓ MOL2 SDF SMILES Flexibase

13010480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-7-(2-furyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-one 5-[2-(4-benzyl-1-piperidyl)-2-ox…

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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)	2.93	10.36	-22.3	0	7	0	81	448.548	5	↓ MOL2 SDF SMILES Flexibase

13010482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-7-(2-furyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-one 5-[2-(3,4-dihydro-2H-quinolin-1-…

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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)	2.56	8.47	-24.27	0	7	0	81	406.467	3	↓ MOL2 SDF SMILES Flexibase

13010483

Analogs

36656565

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-furyl)-5-(2-indolin-1-yl-2-oxo-ethyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-one 7-(2-furyl)-5-(2-indolin-1-yl-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	7.83	-21.83	0	7	0	81	392.44	3	↓ MOL2 SDF SMILES Flexibase

13010485

Analogs

13010489
13010490
13010562
13010577
13010604

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-phenyl-acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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	5.95	-22.6	1	7	0	90	366.402	4	↓ MOL2 SDF SMILES Flexibase

13010487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(1-naphthyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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	8.33	-23.19	1	7	0	90	416.462	4	↓ MOL2 SDF SMILES Flexibase

13010489

Analogs

13010490
13010492
13010562
36656541
36656542

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(o-tolyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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)	2.21	6.85	-23.12	1	7	0	90	380.429	4	↓ MOL2 SDF SMILES Flexibase

13010490

Analogs

13010492
13010564
36656541
36656543
36656544

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(p-tolyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.26	6.63	-22.72	1	7	0	90	380.429	4	↓ MOL2 SDF SMILES Flexibase

13010492

Analogs

13010562
36656541
36656543
36656544
36656545

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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	8.33	-22.25	1	7	0	90	408.483	4	↓ MOL2 SDF SMILES Flexibase

13010495

Analogs

36656547
36656548
36656549
36656564
36656603

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(3-fluorophenyl)-2-[7-(2-furyl…

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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)	1.95	6.01	-21.35	1	7	0	90	384.392	4	↓ MOL2 SDF SMILES Flexibase

13010498

Analogs

13010503
36656551
36656553
36656554
36656555

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(2-methoxyphenyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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)	1.82	5.38	-22.38	1	8	0	99	396.428	5	↓ MOL2 SDF SMILES Flexibase

13010500

Analogs

36656551
36656553
36656554
36656555
36656558

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(4-methoxyphenyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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)	1.87	5.24	-24	1	8	0	99	396.428	5	↓ MOL2 SDF SMILES Flexibase

13010503

Analogs

36656551
36656553
36656555
36656558
13010498

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(2,4-dimethoxyphenyl)-2-[7-(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)	1.85	4.64	-22.88	1	9	0	108	426.454	6	↓ MOL2 SDF SMILES Flexibase

13010504

Analogs

36656550
36656553
36656554
36656555
36656558

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(3,4-dimethoxyphenyl)-2-[7-(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)	1.46	5.14	-25.02	1	9	0	108	426.454	6	↓ MOL2 SDF SMILES Flexibase

13010506

Analogs

36656556
36656557
36656604

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.70	6.96	-22.31	1	7	0	90	434.399	5	↓ MOL2 SDF SMILES Flexibase

13010508

Analogs

36656559

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(3-nitrophenyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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)	1.74	6.61	-22.99	1	10	0	136	411.399	5	↓ MOL2 SDF SMILES Flexibase

13010510

Analogs

13010512
36656555
36656560

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	7.53	-24.24	1	9	0	116	438.465	7	↓ MOL2 SDF SMILES Flexibase

13010512

Analogs

36656555
36656560
13010510

Draw Identity 99% 90% 80% 70%

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)	1.98	6.6	-24.46	1	9	0	116	424.438	6	↓ MOL2 SDF SMILES Flexibase

13010515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-cyclopentyl-2-[7-(2-furyl)-2-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	5.22	-21.96	1	7	0	90	358.423	4	↓ MOL2 SDF SMILES Flexibase

13010517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-cyclohexyl-2-[7-(2-furyl)-2-me…

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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	5.7	-22.15	1	7	0	90	372.45	4	↓ MOL2 SDF SMILES Flexibase

13010519

Analogs

36656554
36656564
36656565

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-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)	1.40	4.72	-23.17	1	9	0	108	424.438	5	↓ MOL2 SDF SMILES Flexibase

13010521

Analogs

36656564

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(2-furylmethyl)-2-[7-(2-furyl)…

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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	4.19	-21.61	1	8	0	103	370.39	5	↓ MOL2 SDF SMILES Flexibase

13010523

Analogs

36656564
36656565

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-phenethyl-acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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)	1.92	6.83	-23.42	1	7	0	90	394.456	6	↓ MOL2 SDF SMILES Flexibase

13010526

Analogs

36656563
36656564
36656568
36656570

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(p-tolylmethyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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)	1.96	6.74	-21.21	1	7	0	90	394.456	5	↓ MOL2 SDF SMILES Flexibase

13010528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetyl]amino]benzamide 4-[[2-[7-(2-furyl)-2-methyl-4-ox…

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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)	0.63	2.74	-26.19	3	9	0	133	409.427	5	↓ MOL2 SDF SMILES Flexibase

13010530

Analogs

36656567
36656568
36656569
36656570
36656571

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3-fluorophenyl)methyl]-7-(2-furyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-one 5-[(3-fluorophenyl)methyl]-7-(2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	7.52	-16.53	0	5	0	61	341.367	3	↓ MOL2 SDF SMILES Flexibase

13010534

Analogs

36656567
36656568
36656569
36656570
36656571

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2,5-dimethylphenyl)methyl]-7-(2-furyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-one 5-[(2,5-dimethylphenyl)methyl]-7…

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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	8.86	-14.81	0	5	0	61	351.431	3	↓ MOL2 SDF SMILES Flexibase

13010536

Analogs

36656566
36656567
36656568
36656569
36656570

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-furyl)-2-methyl-5-(p-tolylmethyl)thiazolo[4,5-d]pyridazin-4-one 7-(2-furyl)-2-methyl-5-(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)	3.05	8.13	-14.81	0	5	0	61	337.404	3	↓ MOL2 SDF SMILES Flexibase

13010538

Analogs

36656567
36656568
36656569
36656570
36656571

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-furyl)-2-methyl-5-(1-naphthylmethyl)thiazolo[4,5-d]pyridazin-4-one 7-(2-furyl)-2-methyl-5-(1-naphth…

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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	9.7	-15.75	0	5	0	61	373.437	3	↓ MOL2 SDF SMILES Flexibase

13010541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl benzyl

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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	8.69	-19.18	0	7	0	87	381.413	6	↓ MOL2 SDF SMILES Flexibase

13010544

Analogs

36656576
36656577
36656578
36656579

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-7-(2-furyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-one 5-[2-(4-ethoxyphenyl)-2-oxo-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)	2.59	7.67	-21.39	0	7	0	87	395.44	6	↓ MOL2 SDF SMILES Flexibase

13010546

Analogs

13010551
13010553
13010554
36656576
36656577

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-furyl)-2-methyl-5-[2-oxo-2-(p-tolyl)ethyl]thiazolo[4,5-d]pyridazin-4-one 7-(2-furyl)-2-methyl-5-[2-oxo-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	8.11	-21.25	0	6	0	78	365.414	4	↓ MOL2 SDF SMILES Flexibase

13010549

Analogs

36656576
36656577
36656578
36656579

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-fluorophenyl)-2-oxo-ethyl]-7-(2-furyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-one 5-[2-(4-fluorophenyl)-2-oxo-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)	2.32	7.5	-20.37	0	6	0	78	369.377	4	↓ MOL2 SDF SMILES Flexibase

13010551

Analogs

13010553
13010554
36656576
36656577
36656578

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-furyl)-5-[2-(4-isopropylphenyl)-2-oxo-ethyl]-2-methyl-thiazolo[4,5-d]pyridazin-4-one 7-(2-furyl)-5-[2-(4-isopropylphe…

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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)	3.66	9.35	-20.75	0	6	0	78	393.468	5	↓ MOL2 SDF SMILES Flexibase

13010552

Analogs

36656578
36656579

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]-7-(2-furyl)-2-methyl-thiazolo[4,5-d]pyridazin-4 5-[2-(2,3-dihydro-1,4-benzodioxi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	6.6	-24.29	0	8	0	96	409.423	4	↓ MOL2 SDF SMILES Flexibase

13010553

Analogs

13010554
36656576
36656577
36656578
36656579

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(4-ethylphenyl)-2-oxo-ethyl]-7-(2-furyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-one 5-[2-(4-ethylphenyl)-2-oxo-ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	8.88	-20.98	0	6	0	78	379.441	5	↓ MOL2 SDF SMILES Flexibase

13010554

Analogs

36656576
36656577
36656578
36656579
36656598

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2-furyl)-2-methyl-5-phenacyl-thiazolo[4,5-d]pyridazin-4-one 7-(2-furyl)-2-methyl-5-phenacyl-…

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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)	2.15	7.43	-21.42	0	6	0	78	351.387	4	↓ MOL2 SDF SMILES Flexibase

13010556

Analogs

36656567
36656568
36656569
36656570
36656571

Draw Identity 99% 90% 80% 70%

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)	2.77	8.11	-16.26	0	7	0	87	381.413	5	↓ MOL2 SDF SMILES Flexibase

13010558

Analogs

36656553
36656554
36656555

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-y N-(3,4-dihydro-2H-1,5-benzodioxe…

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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)	1.59	5.89	-27.71	1	9	0	108	438.465	4	↓ MOL2 SDF SMILES Flexibase

13010562

Analogs

36656541
36656543
36656544
36656545
36656547

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dimethylphenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(2,6-dimethylphenyl)-2-[7-(2-f…

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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	7.82	-22.68	1	7	0	90	394.456	4	↓ MOL2 SDF SMILES Flexibase

13010564

Analogs

36656541
36656545
36656546
36656557
36656561

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-(4-isopropylphenyl)acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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)	3.32	7.86	-22.32	1	7	0	90	408.483	5	↓ MOL2 SDF SMILES Flexibase

13010566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N,N-diphenyl-acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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	10.93	-23.23	0	7	0	81	442.5	5	↓ MOL2 SDF SMILES Flexibase

13010568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]-N-isopropyl-N-phenyl-acetamide 2-[7-(2-furyl)-2-methyl-4-oxo-th…

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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)	2.73	8.89	-22.86	0	7	0	81	408.483	5	↓ MOL2 SDF SMILES Flexibase

13010570

Analogs

13010572
36656543
36656545
36656556
36656584

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-diethylphenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(2,6-diethylphenyl)-2-[7-(2-fu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	9.07	-22.25	1	7	0	90	422.51	6	↓ MOL2 SDF SMILES Flexibase

13010572

Analogs

36656543
36656545
36656556
36656584
36656585

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-6-methyl-phenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(2-ethyl-6-methyl-phenyl)-2-[7…

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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)	2.14	8.43	-22.15	1	7	0	90	408.483	5	↓ MOL2 SDF SMILES Flexibase

13010574

Analogs

36656577
36656578
36656579

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-7-(2-furyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-one 5-[2-(1,3-benzodioxol-5-yl)-2-ox…

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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	6.12	-23.51	0	8	0	96	395.396	4	↓ MOL2 SDF SMILES Flexibase

13010577

Analogs

13010581
36656547
36656549
36656559
36656590

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(3-chlorophenyl)-2-[7-(2-furyl…

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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	6.46	-20.96	1	7	0	90	400.847	4	↓ MOL2 SDF SMILES Flexibase

13010581

Analogs

36656541
36656543
36656547
36656549
36656557

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide N-(3,4-dichlorophenyl)-2-[7-(2-f…

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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)	3.09	6.93	-23.47	1	7	0	90	435.292	4	↓ MOL2 SDF SMILES Flexibase

13010583

Analogs

36656599
36656602
36656603
36656604

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-[7-(2-furyl)-2-methyl-4-oxo-thiazolo[5,4-d]pyridazin-5-yl]acetamide 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)	2.86	7.06	-23.79	1	7	0	90	414.874	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript">
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