ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12232764

Analogs

14007710

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethylsulfanyl-2-methyl-7-phenyl-thiazolo[4,5-d]pyridazine 4-ethylsulfanyl-2-methyl-7-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)	3.45	-0.72	-11	0	3	0	39	287.413	3	↓ MOL2 SDF SMILES Flexibase

12232767

Analogs

14007721

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-7-phenyl-4-prop-2-ynylsulfanyl-thiazolo[5,4-d]pyridazine 2-methyl-7-phenyl-4-prop-2-ynyls…

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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	0.41	-11.72	0	3	0	39	297.408	3	↓ MOL2 SDF SMILES Flexibase

12232770

Analogs

14007724

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone 2-(2-methyl-7-phenyl-thiazolo[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)	2.82	-2.01	-15.49	0	5	0	59	370.503	4	↓ MOL2 SDF SMILES Flexibase

12232774

Analogs

13973375
13973379
14007726
14007729
14007735

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-1-(1-piperidyl)ethanone 2-(2-methyl-7-phenyl-thiazolo[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)	3.33	-1.79	-14.61	0	5	0	59	384.53	4	↓ MOL2 SDF SMILES Flexibase

12232777

Analogs

14007745

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanylacetamide 2-(2-methyl-7-phenyl-thiazolo[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)	1.80	-3.88	-15.53	2	5	0	82	316.411	4	↓ MOL2 SDF SMILES Flexibase

12232780

Analogs

14007811

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-yl)-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-(1,3-benzodioxol-5-yl)-2-(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)	3.76	-2.81	-16.94	1	7	0	86	436.518	5	↓ MOL2 SDF SMILES Flexibase

12232783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamidophenyl)-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-(3-acetamidophenyl)-2-(2-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)	3.07	-3.05	-20.79	2	7	0	97	449.561	6	↓ MOL2 SDF SMILES Flexibase

12232788

Analogs

13973384
14007748

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-(4-acetamidophenyl)-2-(2-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)	3.09	-3.03	-20.63	2	7	0	97	449.561	6	↓ MOL2 SDF SMILES Flexibase

12232792

Analogs

14007821

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)	2.41	-2.01	-15.05	1	7	0	94	402.501	8	↓ MOL2 SDF SMILES Flexibase

12232796

Analogs

14007828

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-(2-furylmethyl)-2-(2-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)	2.83	-2.23	-15.44	1	6	0	81	396.497	6	↓ MOL2 SDF SMILES Flexibase

12232801

Analogs

12232805
14007830
14007834

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]ace 2-(2-methyl-7-phenyl-thiazolo[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)	2.55	-4.36	-15.54	1	6	0	77	400.529	6	↓ MOL2 SDF SMILES Flexibase

12232805

Analogs

14007830
14007834
12232801

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ace 2-(2-methyl-7-phenyl-thiazolo[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)	2.55	-4.3	-15.39	1	6	0	77	400.529	6	↓ MOL2 SDF SMILES Flexibase

12232810

Analogs

14007843

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-N-(4-methylthiazol-2-yl)acetamide 2-(2-methyl-7-phenyl-thiazolo[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)	3.15	-3.02	-15.6	1	6	0	81	413.553	5	↓ MOL2 SDF SMILES Flexibase

12232812

Analogs

14007851

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methylisoxazol-3-yl)-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-(5-methylisoxazol-3-yl)-2-(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)	2.70	-0.92	-15.56	1	7	0	94	397.485	5	↓ MOL2 SDF SMILES Flexibase

12232816

Analogs

14007857

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanylacetyl]amino]benzamide 4-[[2-(2-methyl-7-phenyl-thiazol…

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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)	2.69	-4.65	-23.3	3	7	0	111	435.534	6	↓ MOL2 SDF SMILES Flexibase

12232820

Analogs

14007860

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N,N-diethyl-2-(2-methyl-7-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)	3.17	-0.52	-14.88	0	5	0	59	372.519	6	↓ MOL2 SDF SMILES Flexibase

12232823

Analogs

14007893

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)	3.99	0.74	-14.13	0	6	0	78	397.481	6	↓ MOL2 SDF SMILES Flexibase

12232827

Analogs

12663851

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-7-phenyl-4-(3-pyridylmethylsulfanyl)thiazolo[5,4-d]pyridazine 2-methyl-7-phenyl-4-(3-pyridylme…

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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)	3.43	-1.33	-12.84	0	4	0	52	350.472	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.43	-1.22	-39.86	1	4	1	53	351.48	4	↓ MOL2 SDF SMILES Flexibase

12232831

Analogs

12663852

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-7-phenyl-4-(2-pyridylmethylsulfanyl)thiazolo[5,4-d]pyridazine 2-methyl-7-phenyl-4-(2-pyridylme…

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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)	3.49	-1.52	-14.19	0	4	0	52	350.472	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.49	-1.45	-36.82	1	4	1	53	351.48	4	↓ MOL2 SDF SMILES Flexibase

12232835

Analogs

14007901

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)	2.93	0.16	-12.76	0	5	0	65	331.422	5	↓ MOL2 SDF SMILES Flexibase

12232840

Analogs

14007903

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)	3.31	0.13	-12.52	0	5	0	65	345.449	6	↓ MOL2 SDF SMILES Flexibase

12232843

Analogs

14007908

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanylacetonitrile 2-(2-methyl-7-phenyl-thiazolo[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)	2.85	0.35	-11.72	0	4	0	62	298.396	3	↓ MOL2 SDF SMILES Flexibase

12232848

Analogs

14007943

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanylpropan-2-one 1-(2-methyl-7-phenyl-thiazolo[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)	2.61	-0.54	-14.19	0	4	0	56	315.423	4	↓ MOL2 SDF SMILES Flexibase

12232851

Analogs

14007946

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-methyl-2-(2-methyl-7-phenyl-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)	2.17	-2.99	-15.53	1	5	0	68	330.438	4	↓ MOL2 SDF SMILES Flexibase

12232855

Analogs

14007948

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-N-propyl-acetamide 2-(2-methyl-7-phenyl-thiazolo[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)	3.05	-2.82	-14.84	1	5	0	68	358.492	6	↓ MOL2 SDF SMILES Flexibase

12232858

Analogs

12232860
13973496
14007950
14007952
14007969

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-isopropyl-2-(2-methyl-7-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)	2.85	-2.39	-14.93	1	5	0	68	358.492	5	↓ MOL2 SDF SMILES Flexibase

12232860

Analogs

13973496
14007950
14007952
14007969
12232858

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-tert-butyl-2-(2-methyl-7-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)	3.36	-2.03	-14.4	1	5	0	68	372.519	5	↓ MOL2 SDF SMILES Flexibase

12232866

Analogs

14007954

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-(2-methoxyethyl)-2-(2-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)	2.16	-3.56	-15.55	1	6	0	77	374.491	7	↓ MOL2 SDF SMILES Flexibase

12232868

Analogs

14007972

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-(2-methyl-7-phenyl-thiazolo[4,5-d]pyridazin-4-yl)sulfanyl-acetamide N-allyl-2-(2-methyl-7-phenyl-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.82	-2.45	-14.61	1	5	0	68	356.476	6	↓ MOL2 SDF SMILES Flexibase

14007019

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethan 2-[7-(4-methoxyphenyl)-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)	3.62	8.78	-14.78	0	6	0	68	428.583	5	↓ MOL2 SDF SMILES Flexibase

14007021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-indolin-1-yl-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-ethanone 1-indolin-1-yl-2-[7-(4-methoxyph…

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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	9.86	-15.14	0	6	0	68	448.573	5	↓ MOL2 SDF SMILES Flexibase

14007024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanylacetamide 2-[7-(4-methoxyphenyl)-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)	1.86	2.63	-15.75	2	6	0	91	346.437	5	↓ MOL2 SDF SMILES Flexibase

14007026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-phenyl-acetamide 2-[7-(4-methoxyphenyl)-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)	3.93	7.86	-15.97	1	6	0	77	422.535	6	↓ MOL2 SDF SMILES Flexibase

14007028

Analogs

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Popular Name: 2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-(o-tolyl)acetamide 2-[7-(4-methoxyphenyl)-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)	4.33	8.75	-15.9	1	6	0	77	436.562	6	↓ MOL2 SDF SMILES Flexibase

14007030

Analogs

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Popular Name: 2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-(m-tolyl)acetamide 2-[7-(4-methoxyphenyl)-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)	4.35	8.53	-15.96	1	6	0	77	436.562	6	↓ MOL2 SDF SMILES Flexibase

14007032

Analogs

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Popular Name: 2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-(p-tolyl)acetamide 2-[7-(4-methoxyphenyl)-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)	4.38	8.54	-16.04	1	6	0	77	436.562	6	↓ MOL2 SDF SMILES Flexibase

14007034

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetam N-(2,3-dimethylphenyl)-2-[7-(4-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)	4.73	9.27	-16.04	1	6	0	77	450.589	6	↓ MOL2 SDF SMILES Flexibase

14007036

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetam N-(2,5-dimethylphenyl)-2-[7-(4-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)	4.75	9.38	-16.03	1	6	0	77	450.589	6	↓ MOL2 SDF SMILES Flexibase

14007039

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetam N-(2,4-dimethylphenyl)-2-[7-(4-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)	4.75	9.42	-16.03	1	6	0	77	450.589	6	↓ MOL2 SDF SMILES Flexibase

14007041

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetam N-(3,5-dimethylphenyl)-2-[7-(4-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)	4.75	9.2	-16.14	1	6	0	77	450.589	6	↓ MOL2 SDF SMILES Flexibase

14007043

Analogs

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Popular Name: N-(4-ethylphenyl)-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetamide N-(4-ethylphenyl)-2-[7-(4-methox…

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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	9.3	-15.94	1	6	0	77	450.589	7	↓ MOL2 SDF SMILES Flexibase

14007045

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetamide N-(2-fluorophenyl)-2-[7-(4-metho…

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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)	4.04	7.96	-14.94	1	6	0	77	440.525	6	↓ MOL2 SDF SMILES Flexibase

14007047

Analogs

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

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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)	4.07	7.93	-18.25	1	6	0	77	440.525	6	↓ MOL2 SDF SMILES Flexibase

14007049

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetamide N-(4-fluorophenyl)-2-[7-(4-metho…

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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)	4.09	7.93	-16.04	1	6	0	77	440.525	6	↓ MOL2 SDF SMILES Flexibase

14007051

Analogs

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Popular Name: N-cyclopentyl-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetamide N-cyclopentyl-2-[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)	3.63	7.13	-14.98	1	6	0	77	414.556	6	↓ MOL2 SDF SMILES Flexibase

14007054

Analogs

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Popular Name: N-cyclohexyl-2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-acetamide N-cyclohexyl-2-[7-(4-methoxyphen…

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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	7.64	-15.09	1	6	0	77	428.583	6	↓ MOL2 SDF SMILES Flexibase

14007055

Analogs

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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)	2.47	5.99	-15.14	1	8	0	103	432.527	9	↓ MOL2 SDF SMILES Flexibase

14007057

Analogs

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

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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)	3.63	7.97	-14.86	1	6	0	77	436.562	7	↓ MOL2 SDF SMILES Flexibase

14007059

Analogs

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

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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)	2.89	6.09	-15.62	1	7	0	90	426.523	7	↓ MOL2 SDF SMILES Flexibase

14007061

Analogs

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Popular Name: 2-[7-(4-methoxyphenyl)-2-methyl-thiazolo[4,5-d]pyridazin-4-yl]sulfanyl-N-[[(2S)-tetrahydrofuran-2-yl 2-[7-(4-methoxyphenyl)-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)	2.61	5.25	-15.65	1	7	0	86	430.555	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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