ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

60219087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-amine 5-(1,3-benzothiazol-2-ylsulfanyl…

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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)	3.11	3.69	-12.46	2	4	0	65	266.376	2	↓ MOL2 SDF SMILES Flexibase

60219099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetic 2-[5-[(6-methylsulfonyl-1,3-benz…

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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	3.73	-56.21	0	7	-1	113	386.481	5	↓ MOL2 SDF SMILES Flexibase

60219160

Analogs

60219783
60219991

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole 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)	4.21	7.61	-9.68	0	6	0	85	338.439	4	↓ MOL2 SDF SMILES Flexibase

60219182

Analogs

60218490

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole 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)	4.94	7.4	-11.75	0	3	0	39	307.469	3	↓ MOL2 SDF SMILES Flexibase

60219200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-chloro-1,3-benzothiazole 2-[(5-butyl-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)	5.49	8.37	-12.73	0	3	0	39	341.914	5	↓ MOL2 SDF SMILES Flexibase

60219337

Analogs

60217179

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-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)	4.16	7.46	-50.3	0	5	-1	79	336.443	4	↓ MOL2 SDF SMILES Flexibase

60219715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole 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)	3.19	4.59	-13.07	0	4	0	48	295.414	4	↓ MOL2 SDF SMILES Flexibase

60219717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-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)	2.67	3.51	-50.88	1	6	-1	99	338.415	5	↓ MOL2 SDF SMILES Flexibase

60219751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-nitro-1,3-benzothiazole 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)	3.13	5.3	-11.18	0	7	0	94	340.411	5	↓ MOL2 SDF SMILES Flexibase

60219783

Analogs

60219991
60220807
60217986
60219160

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole 2-[(5-ethyl-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)	3.73	7.01	-10.09	0	6	0	85	324.412	4	↓ MOL2 SDF SMILES Flexibase

60219796

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)	2.46	5.54	-19.44	0	7	0	99	429.57	8	↓ MOL2 SDF SMILES Flexibase

60219864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methylsulfonyl-2-[(5-propyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole 6-methylsulfonyl-2-[(5-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)	3.14	4.6	-17.6	0	5	0	73	371.534	5	↓ MOL2 SDF SMILES Flexibase

60219931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanoic 3-[5-(1,3-benzothiazol-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)	2.93	6.81	-47.07	0	5	-1	79	322.416	5	↓ MOL2 SDF SMILES Flexibase

60219955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]ethanol 2-[5-[(6-methylsulfonyl-1,3-benz…

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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)	1.63	0.49	-18.44	1	6	0	93	373.506	5	↓ MOL2 SDF SMILES Flexibase

60219975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole 2-[(5-butyl-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)	3.70	5.38	-17.57	0	5	0	73	385.561	6	↓ MOL2 SDF SMILES Flexibase

60219991

Analogs

60219160
60219783

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole 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)	4.88	8.1	-9.58	0	6	0	85	352.466	4	↓ MOL2 SDF SMILES Flexibase

60220076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methylsulfonyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole 6-methylsulfonyl-2-[[5-(trifluor…

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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)	2.98	3.46	-15.9	0	5	0	73	397.45	4	↓ MOL2 SDF SMILES Flexibase

60220090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole-6-carboxylic 2-[(5-butyl-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)	4.74	8.39	-50.19	0	5	-1	79	350.47	6	↓ MOL2 SDF SMILES Flexibase

60220132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylsulfonyl-1,3-benzothiazole 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)	2.04	2.12	-19.06	0	6	0	82	373.506	5	↓ MOL2 SDF SMILES Flexibase

60220171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(5-propyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole 4-chloro-2-[(5-propyl-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)	4.93	7.59	-12.72	0	3	0	39	327.887	4	↓ MOL2 SDF SMILES Flexibase

60220230

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.29	6.54	-47.68	0	5	-1	79	342.834	4	↓ MOL2 SDF SMILES Flexibase

60220247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole 4-chloro-2-[(5-methyl-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)	3.85	6.07	-13.67	0	3	0	39	299.833	2	↓ MOL2 SDF SMILES Flexibase

60220260

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.78	2.66	-19.26	2	5	0	82	342.858	4	↓ MOL2 SDF SMILES Flexibase

60220274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(4-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]methanol [5-[(4-chloro-1,3-benzothiazol-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)	3.21	2.53	-13.42	1	4	0	59	315.832	3	↓ MOL2 SDF SMILES Flexibase

60220450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine 5-[(6-methylsulfonyl-1,3-benzoth…

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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	1.4	-19.51	2	6	0	99	344.468	3	↓ MOL2 SDF SMILES Flexibase

60220467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]methanol [5-(1,3-benzothiazol-2-ylsulfany…

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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)	2.58	2	-13.49	1	4	0	59	281.387	3	↓ MOL2 SDF SMILES Flexibase

60220543

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)	3.65	7.22	-16.52	0	5	0	65	337.451	6	↓ MOL2 SDF SMILES Flexibase

60220556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole 2-[(5-ethyl-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)	3.79	6.3	-12.1	0	3	0	39	279.415	3	↓ MOL2 SDF SMILES Flexibase

60220617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole 2-[(5-butyl-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)	4.86	7.85	-11.69	0	3	0	39	307.469	5	↓ MOL2 SDF SMILES Flexibase

60220649

Analogs

60218846

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-methylsulfonyl-1,3-benzothiazole 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)	3.12	4.44	-17.55	0	5	0	73	371.534	4	↓ MOL2 SDF SMILES Flexibase

60220661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzothiazole-6-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)	3.08	5.14	-51.5	0	6	-1	88	338.415	5	↓ MOL2 SDF SMILES Flexibase

60220807

Analogs

60220854
60219783

Draw Identity 99% 90% 80% 70%

Popular Name: 6-nitro-2-[(5-propyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole 6-nitro-2-[(5-propyl-1,3,4-thiad…

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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)	4.23	7.78	-9.68	0	6	0	85	338.439	5	↓ MOL2 SDF SMILES Flexibase

60220854

Analogs

60220807

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole 2-[(5-butyl-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)	4.79	8.56	-9.74	0	6	0	85	352.466	6	↓ MOL2 SDF SMILES Flexibase

49237699

Analogs

37132503
23620035

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine 5-(1,3-benzothiazol-2-ylsulfanyl…

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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)	3.47	4.74	-13.4	1	5	0	60	324.456	6	↓ MOL2 SDF SMILES Flexibase

49237763

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37132503

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Popular Name: N-allyl-5-(1,3-benzothiazol-2-ylsulfanyl)-1,3,4-thiadiazol-2-amine N-allyl-5-(1,3-benzothiazol-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)	4.13	6.21	-12.49	1	4	0	51	306.441	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 198198
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 198198 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "198198"        

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