ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

44241527

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,2-dimethylmorpholin-4-yl)-1,3,4-thiadiazole-2-thiol 5-(2,2-dimethylmorpholin-4-yl)-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	4.11	-40.56	0	4	-1	38	230.338	1	↓ MOL2 SDF SMILES Flexibase

44241534

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-ethylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(3R)-3-ethylmorpholin-4-yl]-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)	1.99	4.01	-41.54	0	4	-1	38	230.338	2	↓ MOL2 SDF SMILES Flexibase

44241537

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-ethylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(3S)-3-ethylmorpholin-4-yl]-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)	1.99	4	-41.52	0	4	-1	38	230.338	2	↓ MOL2 SDF SMILES Flexibase

44241576

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2S,6R)-2,6-dimethylmorpholin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	4.1	-40.14	0	4	-1	38	230.338	1	↓ MOL2 SDF SMILES Flexibase

44241579

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2S,6S)-2,6-dimethylmorpholin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	4.21	-40.41	0	4	-1	38	230.338	1	↓ MOL2 SDF SMILES Flexibase

44241582

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2R,6R)-2,6-dimethylmorpholin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.85	4.21	-40.65	0	4	-1	38	230.338	1	↓ MOL2 SDF SMILES Flexibase

44241594

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-methylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2R)-2-methylmorpholin-4-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)	1.48	3.34	-40.58	0	4	-1	38	216.311	1	↓ MOL2 SDF SMILES Flexibase

44241597

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-methylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2S)-2-methylmorpholin-4-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)	1.48	3.34	-40.57	0	4	-1	38	216.311	1	↓ MOL2 SDF SMILES Flexibase

44241699

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3R)-3-methylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(3R)-3-methylmorpholin-4-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)	1.45	3.41	-41.28	0	4	-1	38	216.311	1	↓ MOL2 SDF SMILES Flexibase

44241702

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-3-methylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(3S)-3-methylmorpholin-4-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)	1.45	3.41	-41.31	0	4	-1	38	216.311	1	↓ MOL2 SDF SMILES Flexibase

44241705

Analogs

14249506

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	4.1	-40.95	0	4	-1	38	230.338	1	↓ MOL2 SDF SMILES Flexibase

44241708

Analogs

14249506

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2S,5R)-2,5-dimethylmorpholin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	4.15	-40.85	0	4	-1	38	230.338	1	↓ MOL2 SDF SMILES Flexibase

44241714

Analogs

48353951
48353952
14249506

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R)-2-ethylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2R)-2-ethylmorpholin-4-yl]-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)	1.99	4.18	-40.52	0	4	-1	38	230.338	2	↓ MOL2 SDF SMILES Flexibase

44241717

Analogs

48353951
48353952
14249506

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S)-2-ethylmorpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2S)-2-ethylmorpholin-4-yl]-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)	1.99	4.18	-40.51	0	4	-1	38	230.338	2	↓ MOL2 SDF SMILES Flexibase

44242021

Analogs

2511074

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,3-dimethylmorpholin-4-yl)-1,3,4-thiadiazole-2-thiol 5-(3,3-dimethylmorpholin-4-yl)-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	4.05	-41.83	0	4	-1	38	230.338	1	↓ MOL2 SDF SMILES Flexibase

44242046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2R,5R)-5-ethyl-2-methyl-morp…

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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	4.98	-41.43	0	4	-1	38	244.365	2	↓ MOL2 SDF SMILES Flexibase

44242048

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2R,5S)-5-ethyl-2-methyl-morp…

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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	4.75	-41.09	0	4	-1	38	244.365	2	↓ MOL2 SDF SMILES Flexibase

44242050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2S,5R)-5-ethyl-2-methyl-morp…

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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	4.76	-41.15	0	4	-1	38	244.365	2	↓ MOL2 SDF SMILES Flexibase

44242052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1,3,4-thiadiazole-2-thiol 5-[(2S,5S)-5-ethyl-2-methyl-morp…

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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	4.98	-41.44	0	4	-1	38	244.365	2	↓ MOL2 SDF SMILES Flexibase

44242180

Analogs

23226577

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2,2-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(2,2-dimethylmorpholin-4-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)	1.38	5.45	-44.31	0	6	-1	78	288.374	4	↓ MOL2 SDF SMILES Flexibase

44242186

Analogs

12976371
12997882

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-ethylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3R)-3-ethylmorpholin-4-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)	1.44	5.36	-45	0	6	-1	78	288.374	5	↓ MOL2 SDF SMILES Flexibase

44242188

Analogs

12976371
12997882

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-ethylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3S)-3-ethylmorpholin-4-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)	1.44	5.34	-44.99	0	6	-1	78	288.374	5	↓ MOL2 SDF SMILES Flexibase

44242210

Analogs

49048839
12976371
8157323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2S,6R)-2,6-dimethylmorph…

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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)	1.30	5.44	-44.01	0	6	-1	78	288.374	4	↓ MOL2 SDF SMILES Flexibase

44242212

Analogs

49048839
12976371
8157323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2S,6S)-2,6-dimethylmorph…

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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)	1.30	5.56	-44.15	0	6	-1	78	288.374	4	↓ MOL2 SDF SMILES Flexibase

44242214

Analogs

49048839
12976371
8157323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2R,6R)-2,6-dimethylmorph…

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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)	1.30	5.56	-44.43	0	6	-1	78	288.374	4	↓ MOL2 SDF SMILES Flexibase

44242222

Analogs

49048839
12976371
8157323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2R)-2-methylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2R)-2-methylmorpholin-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)	0.93	4.69	-44.51	0	6	-1	78	274.347	4	↓ MOL2 SDF SMILES Flexibase

44242224

Analogs

49048839
12976371
8157323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S)-2-methylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2S)-2-methylmorpholin-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)	0.93	4.69	-44.5	0	6	-1	78	274.347	4	↓ MOL2 SDF SMILES Flexibase

44242269

Analogs

49048839
40456802
40456803
32607215
32607213

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3R)-3-methylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3R)-3-methylmorpholin-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)	0.90	4.75	-44.86	0	6	-1	78	274.347	4	↓ MOL2 SDF SMILES Flexibase

44242271

Analogs

49048839
40456802
40456803
32607215
32607213

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3S)-3-methylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3S)-3-methylmorpholin-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)	0.90	4.75	-44.85	0	6	-1	78	274.347	4	↓ MOL2 SDF SMILES Flexibase

44242273

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.26	5.45	-44.45	0	6	-1	78	288.374	4	↓ MOL2 SDF SMILES Flexibase

44242275

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.26	5.5	-44.33	0	6	-1	78	288.374	4	↓ MOL2 SDF SMILES Flexibase

44242279

Analogs

48355705
48355706
8157323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2R)-2-ethylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2R)-2-ethylmorpholin-4-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)	1.44	5.52	-44.38	0	6	-1	78	288.374	5	↓ MOL2 SDF SMILES Flexibase

44242281

Analogs

48355705
48355706
8157323

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S)-2-ethylmorpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2S)-2-ethylmorpholin-4-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)	1.44	5.52	-44.39	0	6	-1	78	288.374	5	↓ MOL2 SDF SMILES Flexibase

44242472

Analogs

49048839
40456802
40456803
32607213
32607215

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,3-dimethylmorpholin-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(3,3-dimethylmorpholin-4-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)	1.38	5.39	-44.99	0	6	-1	78	288.374	4	↓ MOL2 SDF SMILES Flexibase

44242496

Analogs

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Popular Name: 2-[[5-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2R,5R)-5-ethyl-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)	1.80	6.32	-44.64	0	6	-1	78	302.401	5	↓ MOL2 SDF SMILES Flexibase

44242498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2R,5S)-5-ethyl-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)	1.80	6.09	-44.4	0	6	-1	78	302.401	5	↓ MOL2 SDF SMILES Flexibase

44242500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2S,5R)-5-ethyl-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)	1.80	6.1	-44.43	0	6	-1	78	302.401	5	↓ MOL2 SDF SMILES Flexibase

44242502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2S,5S)-5-ethyl-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)	1.80	6.32	-44.64	0	6	-1	78	302.401	5	↓ MOL2 SDF SMILES Flexibase

69965146

Analogs

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

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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)	-0.16	3.54	-50.34	0	6	-1	78	214.226	2	↓ MOL2 SDF SMILES Flexibase

69965150

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	-0.16	3.55	-50.44	0	6	-1	78	214.226	2	↓ MOL2 SDF SMILES Flexibase

69965366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine dihydrochloride [4-(1,3,4-thiadiazol-2-yl)morpho…

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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)	-0.61	0.35	-48.47	3	5	1	66	201.275	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.61	-0.03	-8.13	2	5	0	64	200.267	2	↓ MOL2 SDF SMILES Flexibase

69965367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine dihydrochloride [4-(1,3,4-thiadiazol-2-yl)morpho…

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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)	-0.61	0.4	-48.46	3	5	1	66	201.275	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.61	-0.07	-8.24	2	5	0	64	200.267	2	↓ MOL2 SDF SMILES Flexibase

49372718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(5-morpholino-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]methanesulfonamide N-[3-[(5-morpholino-1,3,4-thiadi…

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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)	0.75	0.94	-17.37	1	7	0	84	338.48	7	↓ MOL2 SDF SMILES Flexibase

49422879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-carbamoyl-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide N-carbamoyl-3-[(5-morpholino-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)	-0.02	1.17	-26.41	3	8	0	110	317.396	5	↓ MOL2 SDF SMILES Flexibase

42477080

Analogs

36230072
20303797
6427865

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-morpholino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic 2-[(5-morpholino-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)	0.57	3.94	-44.89	0	6	-1	78	260.32	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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