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ZINC Item

Suppliers, Protomers, & Similar Substances

60219129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]ethanol 2-[5-(5-bromo-4-tert-butyl-thiaz…

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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)	4.16	3.49	-7.43	1	4	0	59	380.358	5	↓ MOL2 SDF SMILES Flexibase

60219154

Analogs

60220059

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-5-thiazol-2-ylsulfanyl-1,3,4-thiadiazole 2-isopropyl-5-thiazol-2-ylsulfan…

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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	4.48	-10.45	0	3	0	39	243.382	3	↓ MOL2 SDF SMILES Flexibase

60219195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methoxymethyl)-5-(5-methylsulfonylthiazol-2-yl)sulfanyl-1,3,4-thiadiazole 2-(methoxymethyl)-5-(5-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)	1.29	-0.25	-18.11	0	6	0	82	323.446	5	↓ MOL2 SDF SMILES Flexibase

60219207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyl-5-propyl-1,3,4-thiadiazole 2-(5-bromo-4-tert-butyl-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)	5.67	7.59	-6.52	0	3	0	39	378.386	5	↓ MOL2 SDF SMILES Flexibase

60219212

Analogs

60217948

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methoxymethyl)-5-(5-nitrothiazol-2-yl)sulfanyl-1,3,4-thiadiazole 2-(methoxymethyl)-5-(5-nitrothia…

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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)	1.77	2.37	-16.01	0	7	0	94	290.351	5	↓ MOL2 SDF SMILES Flexibase

60219226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylthiazol-2-yl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole 2-(4-methylthiazol-2-yl)sulfanyl…

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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	3.91	-5.9	0	3	0	39	283.325	3	↓ MOL2 SDF SMILES Flexibase

60219264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)thiazole-5-carboxylic 2-[[5-(methoxymethyl)-1,3,4-thia…

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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)	2.63	3.69	-49.34	0	6	-1	88	356.352	6	↓ MOL2 SDF SMILES Flexibase

60219310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]thiazole-5-carboxylic 2-[(5-amino-1,3,4-thiadiazol-2-y…

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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)	1.42	2.25	-51.83	2	6	-1	105	259.317	3	↓ MOL2 SDF SMILES Flexibase

60219334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]thiazole-5-carboxylic 2-[[5-(2-hydroxyethyl)-1,3,4-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)	1.09	1.34	-50.07	1	6	-1	99	288.355	5	↓ MOL2 SDF SMILES Flexibase

60219411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)thiazole-5-carboxylic 2-[[5-(hydroxymethyl)-1,3,4-thia…

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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	1.28	-51	1	6	-1	99	342.325	5	↓ MOL2 SDF SMILES Flexibase

60219459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5-dibromothiazol-2-yl)sulfanyl-5-(methoxymethyl)-1,3,4-thiadiazole 2-(4,5-dibromothiazol-2-yl)sulfa…

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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)	3.56	3.44	-9.85	0	4	0	48	403.146	4	↓ MOL2 SDF SMILES Flexibase

60219470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]thiazol-4-yl]acetic 2-[2-[[5-(hydroxymethyl)-1,3,4-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)	0.74	1.01	-56.12	1	6	-1	99	288.355	5	↓ MOL2 SDF SMILES Flexibase

60219519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-5-(5-methylsulfonylthiazol-2-yl)sulfanyl-1,3,4-thiadiazole 2-isopropyl-5-(5-methylsulfonylt…

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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)	2.37	2.06	-16.59	0	5	0	73	321.474	4	↓ MOL2 SDF SMILES Flexibase

60219588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3-ethoxy-3-oxo-propyl)-1,3,4-thiadiazol-2-yl]sulfanyl]thiazole-5-carboxylic 2-[[5-(3-ethoxy-3-oxo-propyl)-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)	1.93	6.38	-51.05	0	7	-1	105	344.419	8	↓ MOL2 SDF SMILES Flexibase

60219599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-(4-methylthiazol-2-yl)sulfanyl-1,3,4-thiadiazole 2-ethyl-5-(4-methylthiazol-2-yl)…

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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)	2.51	4.28	-8.18	0	3	0	39	243.382	3	↓ MOL2 SDF SMILES Flexibase

60219653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(4-methylthiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]propanoic 3-[5-(4-methylthiazol-2-yl)sulfa…

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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)	1.65	4.97	-43.72	0	5	-1	79	286.383	5	↓ MOL2 SDF SMILES Flexibase

60219662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorothiazol-2-yl)sulfanyl-5-propyl-1,3,4-thiadiazole 2-(5-chlorothiazol-2-yl)sulfanyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.59	5.33	-7.57	0	3	0	39	277.827	4	↓ MOL2 SDF SMILES Flexibase

60219688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4,5-dibromothiazol-2-yl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole 2-(4,5-dibromothiazol-2-yl)sulfa…

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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)	4.50	4.78	-7.23	0	3	0	39	427.09	3	↓ MOL2 SDF SMILES Flexibase

60219694

Analogs

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)	3.98	6.85	-10.43	0	5	0	65	459.21	7	↓ MOL2 SDF SMILES Flexibase

60219700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide 2-[5-(5-bromo-4-tert-butyl-thiaz…

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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)	3.52	2.85	-15.23	2	5	0	82	393.357	5	↓ MOL2 SDF SMILES Flexibase

60219803

Analogs

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)	4.99	8.54	-8.73	0	5	0	65	436.422	8	↓ MOL2 SDF SMILES Flexibase

60219883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyl-5-(methoxymethyl)-1,3,4-thiadiazole 2-(5-bromo-4-tert-butyl-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)	4.57	5.12	-7.8	0	4	0	48	380.358	5	↓ MOL2 SDF SMILES Flexibase

60219901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]thiazol-4-yl]acetic 2-[2-[[5-(trifluoromethyl)-1,3,4…

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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)	2.29	4.75	-49.1	0	5	-1	79	326.326	5	↓ MOL2 SDF SMILES Flexibase

60219962

Analogs

60218638

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-5-(4-methylthiazol-2-yl)sulfanyl-1,3,4-thiadiazole 2-tert-butyl-5-(4-methylthiazol-…

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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	5.37	-7.71	0	3	0	39	271.436	3	↓ MOL2 SDF SMILES Flexibase

60220034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorothiazol-2-yl)sulfanyl-5-methyl-1,3,4-thiadiazole 2-(5-chlorothiazol-2-yl)sulfanyl…

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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)	2.52	3.81	-8.52	0	3	0	39	249.773	2	↓ MOL2 SDF SMILES Flexibase

60220045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-propyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-(trifluoromethyl)thiazole-5-carboxylic 2-[(5-propyl-1,3,4-thiadiazol-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)	3.74	6.15	-48.18	0	5	-1	79	354.38	6	↓ MOL2 SDF SMILES Flexibase

60220059

Analogs

60219154

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-5-thiazol-2-ylsulfanyl-1,3,4-thiadiazole 2-tert-butyl-5-thiazol-2-ylsulfa…

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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)	3.44	4.97	-10.46	0	3	0	39	257.409	3	↓ MOL2 SDF SMILES Flexibase

60220154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methoxymethyl)-5-(4-methylthiazol-2-yl)sulfanyl-1,3,4-thiadiazole 2-(methoxymethyl)-5-(4-methylthi…

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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	2.57	-9.11	0	4	0	48	259.381	4	↓ MOL2 SDF SMILES Flexibase

60220163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methylthiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine 5-(4-methylthiazol-2-yl)sulfanyl…

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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)	1.83	1.84	-9.69	2	4	0	65	230.343	2	↓ MOL2 SDF SMILES Flexibase

60220165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole 2-(5-bromo-4-tert-butyl-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)	5.51	6.46	-4.91	0	3	0	39	404.302	4	↓ MOL2 SDF SMILES Flexibase

60220174

Analogs

60216156

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chlorothiazol-2-yl)sulfanyl-5-isopropyl-1,3,4-thiadiazole 2-(5-chlorothiazol-2-yl)sulfanyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	5.17	-7.58	0	3	0	39	277.827	3	↓ MOL2 SDF SMILES Flexibase

60220199

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-butyl-5-(5-chlorothiazol-2-yl)sulfanyl-1,3,4-thiadiazole 2-butyl-5-(5-chlorothiazol-2-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	6.11	-7.58	0	3	0	39	291.854	5	↓ MOL2 SDF SMILES Flexibase

60220232

Analogs

60216699
60218426

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(5-nitrothiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]acetic 2-[5-(5-nitrothiazol-2-yl)sulfan…

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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)	1.24	3.98	-49.96	0	8	-1	125	303.326	5	↓ MOL2 SDF SMILES Flexibase

60220264

Analogs

60217429

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]thiazole-5-carboxylic 2-[(5-tert-butyl-1,3,4-thiadiazo…

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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)	3.25	5.77	-49.88	0	5	-1	79	300.41	4	↓ MOL2 SDF SMILES Flexibase

60220300

Analogs

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Popular Name: 2-methyl-5-(5-methylsulfonylthiazol-2-yl)sulfanyl-1,3,4-thiadiazole 2-methyl-5-(5-methylsulfonylthia…

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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)	1.31	0.7	-17.49	0	5	0	73	293.42	3	↓ MOL2 SDF SMILES Flexibase

60220309

Analogs

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Popular Name: 2-(5-nitrothiazol-2-yl)sulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole 2-(5-nitrothiazol-2-yl)sulfanyl-…

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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)	2.71	3.72	-14.18	0	6	0	85	314.295	4	↓ MOL2 SDF SMILES Flexibase

60220562

Analogs

60220862

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Popular Name: 2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-(trifluoromethyl)thiazole-5-carboxylic 2-[(5-isopropyl-1,3,4-thiadiazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.72	6	-48.29	0	5	-1	79	354.38	5	↓ MOL2 SDF SMILES Flexibase

60220573

Analogs

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Popular Name: 2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]thiazole-5-carboxylic 2-[[5-(methoxymethyl)-1,3,4-thia…

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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)	1.50	2.96	-50.82	0	6	-1	88	288.355	5	↓ MOL2 SDF SMILES Flexibase

60220587

Analogs

60217351

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Popular Name: 2-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyl-5-isopropyl-1,3,4-thiadiazole 2-(5-bromo-4-tert-butyl-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)	5.65	7.43	-6.47	0	3	0	39	378.386	4	↓ MOL2 SDF SMILES Flexibase

60220600

Analogs

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Popular Name: 2-[5-(4,5-dibromothiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]acetamide 2-[5-(4,5-dibromothiazol-2-yl)su…

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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)	2.51	1.17	-17.08	2	5	0	82	416.145	4	↓ MOL2 SDF SMILES Flexibase

60220612

Analogs

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Popular Name: 2-[[5-(2-amino-2-oxo-ethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)thiazole-5-carboxylic 2-[[5-(2-amino-2-oxo-ethyl)-1,3,…

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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	1.42	-57.39	2	7	-1	122	369.351	6	↓ MOL2 SDF SMILES Flexibase

60220639

Analogs

60218360

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]thiazol-4-yl]acetic 2-[2-[(5-isopropyl-1,3,4-thiadia…

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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)	2.44	5.72	-53.64	0	5	-1	79	300.41	5	↓ MOL2 SDF SMILES Flexibase

60220758

Analogs

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Popular Name: [5-(4-methylthiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanol [5-(4-methylthiazol-2-yl)sulfany…

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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	0.17	-10.72	1	4	0	59	245.354	3	↓ MOL2 SDF SMILES Flexibase

60220780

Analogs

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Popular Name: 2-thiazol-2-ylsulfanyl-5-(trifluoromethyl)-1,3,4-thiadiazole 2-thiazol-2-ylsulfanyl-5-(triflu…

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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)	2.63	3.51	-8.45	0	3	0	39	269.298	3	↓ MOL2 SDF SMILES Flexibase

60220862

Analogs

60220562

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-(trifluoromethyl)thiazole-5-carboxylic 2-[(5-tert-butyl-1,3,4-thiadiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.39	6.49	-48.25	0	5	-1	79	368.407	5	↓ MOL2 SDF SMILES Flexibase

60220865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyl-5-methyl-1,3,4-thiadiazole 2-(5-bromo-4-tert-butyl-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)	4.60	6.07	-7.51	0	3	0	39	350.332	3	↓ MOL2 SDF SMILES Flexibase

60220876

Analogs

60217407

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(5-nitrothiazol-2-yl)sulfanyl-1,3,4-thiadiazol-2-yl]propanoic 3-[5-(5-nitrothiazol-2-yl)sulfan…

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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	4.79	-50.46	0	8	-1	125	317.353	6	↓ MOL2 SDF SMILES Flexibase

69965508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)thiazol-5-yl]acetic 2-[4-methyl-2-(1,3,4-thiadiazol-…

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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)	1.89	4.42	-50.23	0	5	-1	79	272.356	4	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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