ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

44241479

Analogs

19908497
38342156

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methoxy-1-piperidyl)-1,3,4-thiadiazole-2-thiol 5-(4-methoxy-1-piperidyl)-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)	0.92	4	-42.94	0	4	-1	38	230.338	2	↓ MOL2 SDF SMILES Flexibase

44241482

Analogs

19908497
38342156

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(dimethylamino)-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[4-(dimethylamino)-1-piperidyl…

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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)	1.69	6.01	-68.93	1	4	0	33	244.389	2	↓ MOL2 SDF SMILES Flexibase

44241503

Analogs

19908497
38342156

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3R)-3-ethyl-1-piperidyl]-1,3…

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Activity (Go SEA)

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	6.25	-42.59	0	3	-1	29	228.366	2	↓ MOL2 SDF SMILES Flexibase

44241506

Analogs

19908497
38342156

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3S)-3-ethyl-1-piperidyl]-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)	2.93	6.25	-42.59	0	3	-1	29	228.366	2	↓ MOL2 SDF SMILES Flexibase

44241558

Analogs

19908497
38342156

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methyl-1-piperidyl)-1,3,4-thiadiazole-2-thiol 5-(4-methyl-1-piperidyl)-1,3,4-t…

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Activity (Go SEA)

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)	2.42	5.6	-42.2	0	3	-1	29	214.339	1	↓ MOL2 SDF SMILES Flexibase

44241564

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-methyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(2R)-2-methyl-1-piperidyl]-1,…

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Activity (Go SEA)

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	5.79	-42.9	0	3	-1	29	214.339	1	↓ MOL2 SDF SMILES Flexibase

44241570

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-methyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(2S)-2-methyl-1-piperidyl]-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)	2.51	5.79	-42.95	0	3	-1	29	214.339	1	↓ MOL2 SDF SMILES Flexibase

44241585

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3R)-3-methyl-1-piperidyl]-1,…

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Activity (Go SEA)

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)	2.42	5.6	-42.32	0	3	-1	29	214.339	1	↓ MOL2 SDF SMILES Flexibase

44241588

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3S)-3-methyl-1-piperidyl]-1,…

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Activity (Go SEA)

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)	2.42	5.6	-42.37	0	3	-1	29	214.339	1	↓ MOL2 SDF SMILES Flexibase

44241674

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S,5R)-3,5-dimethyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3S,5R)-3,5-dimethyl-1-piperi…

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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)	2.90	6.18	-42.11	0	3	-1	29	228.366	1	↓ MOL2 SDF SMILES Flexibase

44241677

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3S,5S)-3,5-dimethyl-1-piperi…

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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)	2.90	6.36	-42.89	0	3	-1	29	228.366	1	↓ MOL2 SDF SMILES Flexibase

44241680

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R,5R)-3,5-dimethyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3R,5R)-3,5-dimethyl-1-piperi…

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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)	2.90	6.36	-42.67	0	3	-1	29	228.366	1	↓ MOL2 SDF SMILES Flexibase

44241784

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-ethyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(2R)-2-ethyl-1-piperidyl]-1,3…

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Activity (Go SEA)

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	6.39	-43.36	0	3	-1	29	228.366	2	↓ MOL2 SDF SMILES Flexibase

44241788

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-ethyl-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(2S)-2-ethyl-1-piperidyl]-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)	3.05	6.4	-43.38	0	3	-1	29	228.366	2	↓ MOL2 SDF SMILES Flexibase

44241828

Analogs

19908497
38342156

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethoxy-1-piperidyl)-1,3,4-thiadiazole-2-thiol 5-(4-ethoxy-1-piperidyl)-1,3,4-t…

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Activity (Go SEA)

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	4.96	-42.84	0	4	-1	38	244.365	3	↓ MOL2 SDF SMILES Flexibase

44241936

Analogs

19908497

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(dimethylaminomethyl)-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[4-(dimethylaminomethyl)-1-pip…

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Activity (Go SEA)

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)	2.08	6.96	-71.31	1	4	0	33	258.416	3	↓ MOL2 SDF SMILES Flexibase

44242090

Analogs

19908497
38342156

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-1-piperidyl)-1,3,4-thiadiazole-2-thiol 5-(4-ethyl-1-piperidyl)-1,3,4-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)	3.11	6.25	-42.07	0	3	-1	29	228.366	2	↓ MOL2 SDF SMILES Flexibase

44242096

Analogs

14249506

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-propoxy-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3R)-3-propoxy-1-piperidyl]-1…

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Activity (Go SEA)

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)	2.53	5.76	-41.42	0	4	-1	38	258.392	4	↓ MOL2 SDF SMILES Flexibase

44242098

Analogs

14249506

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-propoxy-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3S)-3-propoxy-1-piperidyl]-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)	2.53	5.76	-41.42	0	4	-1	38	258.392	4	↓ MOL2 SDF SMILES Flexibase

44242104

Analogs

14249506

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethoxy-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3R)-3-ethoxy-1-piperidyl]-1,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	4.97	-41.46	0	4	-1	38	244.365	3	↓ MOL2 SDF SMILES Flexibase

44242106

Analogs

14249506

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethoxy-1-piperidyl]-1,3,4-thiadiazole-2-thiol 5-[(3S)-3-ethoxy-1-piperidyl]-1,…

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Activity (Go SEA)

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	4.97	-41.5	0	4	-1	38	244.365	3	↓ MOL2 SDF SMILES Flexibase

44242148

Analogs

8157323
3296791
12976371

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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)	0.37	5.34	-46.4	0	6	-1	78	288.374	5	↓ MOL2 SDF SMILES Flexibase

44242150

Analogs

3296791
8157323
12976371

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(dimethylamino)-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[4-(dimethylamino)-1-piper…

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Activity (Go SEA)

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)	1.14	7.35	-75.39	1	6	0	74	302.425	5	↓ MOL2 SDF SMILES Flexibase

44242164

Analogs

3296791
8157323
23226577

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-ethyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3R)-3-ethyl-1-piperidyl]…

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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)	2.38	7.59	-45.51	0	5	-1	69	286.402	5	↓ MOL2 SDF SMILES Flexibase

44242166

Analogs

3296791
8157323
23226577

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-ethyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3S)-3-ethyl-1-piperidyl]…

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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)	2.38	7.59	-45.54	0	5	-1	69	286.402	5	↓ MOL2 SDF SMILES Flexibase

44242198

Analogs

8157323
3296791
12976371

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-methyl-1-piperidyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(4-methyl-1-piperidyl)-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)	1.87	6.94	-45.25	0	5	-1	69	272.375	4	↓ MOL2 SDF SMILES Flexibase

44242202

Analogs

3296791

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2R)-2-methyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2R)-2-methyl-1-piperidyl…

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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	7.14	-45.53	0	5	-1	69	272.375	4	↓ MOL2 SDF SMILES Flexibase

44242204

Analogs

3296791

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S)-2-methyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2S)-2-methyl-1-piperidyl…

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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	7.13	-45.53	0	5	-1	69	272.375	4	↓ MOL2 SDF SMILES Flexibase

44242216

Analogs

8157323
3296791
23226577

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-methyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3R)-3-methyl-1-piperidyl…

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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	6.94	-45.35	0	5	-1	69	272.375	4	↓ MOL2 SDF SMILES Flexibase

44242218

Analogs

8157323
3296791
23226577

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-methyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3S)-3-methyl-1-piperidyl…

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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	6.94	-45.34	0	5	-1	69	272.375	4	↓ MOL2 SDF SMILES Flexibase

44242255

Analogs

8157323
3296791
23226577

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5R)-3,5-dimethyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3S,5R)-3,5-dimethyl-1-pi…

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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)	2.35	7.53	-44.95	0	5	-1	69	286.402	4	↓ MOL2 SDF SMILES Flexibase

44242257

Analogs

8157323
3296791
23226577

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3S,5S)-3,5-dimethyl-1-pi…

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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)	2.35	7.71	-45.64	0	5	-1	69	286.402	4	↓ MOL2 SDF SMILES Flexibase

44242259

Analogs

8157323
3296791
23226577

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R,5R)-3,5-dimethyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3R,5R)-3,5-dimethyl-1-pi…

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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)	2.35	7.71	-45.35	0	5	-1	69	286.402	4	↓ MOL2 SDF SMILES Flexibase

44242318

Analogs

3296791

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2R)-2-ethyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2R)-2-ethyl-1-piperidyl]…

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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)	2.50	7.73	-45.79	0	5	-1	69	286.402	5	↓ MOL2 SDF SMILES Flexibase

44242320

Analogs

3296791

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S)-2-ethyl-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2S)-2-ethyl-1-piperidyl]…

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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)	2.50	7.75	-45.71	0	5	-1	69	286.402	5	↓ MOL2 SDF SMILES Flexibase

44242346

Analogs

8157323
3296791

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-ethoxy-1-piperidyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(4-ethoxy-1-piperidyl)-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)	0.74	6.31	-46.38	0	6	-1	78	302.401	6	↓ MOL2 SDF SMILES Flexibase

44242413

Analogs

8157323
3296791
12976371

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[4-(dimethylaminomethyl)-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[4-(dimethylaminomethyl)-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)	1.53	8.28	-77.45	1	6	0	74	316.452	6	↓ MOL2 SDF SMILES Flexibase

44242541

Analogs

8157323
3296791
12976371

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-ethyl-1-piperidyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(4-ethyl-1-piperidyl)-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)	2.56	7.6	-45.18	0	5	-1	69	286.402	5	↓ MOL2 SDF SMILES Flexibase

44242547

Analogs

48355705
48355706

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-propoxy-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3R)-3-propoxy-1-piperidy…

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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	7.1	-45.14	0	6	-1	78	316.428	7	↓ MOL2 SDF SMILES Flexibase

44242549

Analogs

48355705
48355706

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-propoxy-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3S)-3-propoxy-1-piperidy…

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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	7.1	-45.16	0	6	-1	78	316.428	7	↓ MOL2 SDF SMILES Flexibase

44242555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-ethoxy-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3R)-3-ethoxy-1-piperidyl…

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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)	1.47	6.31	-45.15	0	6	-1	78	302.401	6	↓ MOL2 SDF SMILES Flexibase

44242557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-ethoxy-1-piperidyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3S)-3-ethoxy-1-piperidyl…

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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)	1.47	6.31	-45.17	0	6	-1	78	302.401	6	↓ MOL2 SDF SMILES Flexibase

62955850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)-1,3,4-thiadiazole-2-thiol 5-(4-ethyl-4-methyl-1-piperidyl)…

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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	6.36	-41.87	0	3	-1	29	242.393	2	↓ MOL2 SDF SMILES Flexibase

62955851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4,4-diethyl-1-piperidyl)-1,3,4-thiadiazole-2-thiol 5-(4,4-diethyl-1-piperidyl)-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)	3.50	6.83	-41.71	0	3	-1	29	256.42	3	↓ MOL2 SDF SMILES Flexibase

62955880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-ethyl-4-methyl-1-piperidyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(4-ethyl-4-methyl-1-piperi…

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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)	2.62	7.7	-44.87	0	5	-1	69	300.429	5	↓ MOL2 SDF SMILES Flexibase

62955881

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.95	8.18	-44.68	0	5	-1	69	314.456	6	↓ MOL2 SDF SMILES Flexibase

69793766

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,3-dimethyl-1-piperidyl)-1,3,4-thiadiazole-2-thiol 5-(3,3-dimethyl-1-piperidyl)-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)	2.83	6.27	-42.82	0	3	-1	29	228.366	1	↓ MOL2 SDF SMILES Flexibase

69964964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic 1-(1,3,4-thiadiazol-2-yl)piperid…

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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)	0.78	5.06	-47.24	0	5	-1	69	212.254	2	↓ MOL2 SDF SMILES Flexibase

69964972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic (3S)-1-(1,3,4-thiadiazol-2-yl)pi…

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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)	0.78	5.11	-50.49	0	5	-1	69	212.254	2	↓ MOL2 SDF SMILES Flexibase

69964976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic (3R)-1-(1,3,4-thiadiazol-2-yl)pi…

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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)	0.78	5.07	-49.87	0	5	-1	69	212.254	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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