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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

6051132

Analogs

36752631

Draw Identity 99% 90% 80% 70%

Popular Name: butyl butyl

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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)	4.78	1.33	-7.47	1	5	0	64	341.433	9	↓ MOL2 SDF SMILES Flexibase

44241624

Analogs

1082178

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(N-ethyl-2-methyl-anilino)-1,3,4-thiadiazole-2-thiol 5-(N-ethyl-2-methyl-anilino)-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)	3.75	7.99	-43.43	0	3	-1	29	250.372	3	↓ MOL2 SDF SMILES Flexibase

44241684

Analogs

45796090

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(N-ethylanilino)-1,3,4-thiadiazole-2-thiol 5-(N-ethylanilino)-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)	3.35	7.37	-42.83	0	3	-1	29	236.345	3	↓ MOL2 SDF SMILES Flexibase

44241825

Analogs

1735995

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(N-ethyl-3-methyl-anilino)-1,3,4-thiadiazole-2-thiol 5-(N-ethyl-3-methyl-anilino)-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)	3.77	8.06	-43.09	0	3	-1	29	250.372	3	↓ MOL2 SDF SMILES Flexibase

44242208

Analogs

6560069
1302962

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(N-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(N-methylanilino)-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)	2.42	7.88	-46.9	0	5	-1	69	280.354	5	↓ MOL2 SDF SMILES Flexibase

44242236

Analogs

3269548
7985185

Draw Identity 99% 90% 80% 70%

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

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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)	3.20	9.33	-46.13	0	5	-1	69	308.408	6	↓ MOL2 SDF SMILES Flexibase

44242261

Analogs

6560069
20582766
1302962

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(N-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(N-ethylanilino)-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)	2.80	8.72	-45.31	0	5	-1	69	294.381	6	↓ MOL2 SDF SMILES Flexibase

44242344

Analogs

3257579
2617008

Draw Identity 99% 90% 80% 70%

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

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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)	3.22	9.41	-46.6	0	5	-1	69	308.408	6	↓ MOL2 SDF SMILES Flexibase

33444793

Analogs

6559574

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide 2-[[5-(2-fluoroanilino)-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)	3.51	5.58	-11.31	2	5	0	67	366.365	7	↓ MOL2 SDF SMILES Flexibase

52888316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3,4-thiadiazol-2-amine N-(3-methoxyphenyl)-5-[3-(2,2,2-…

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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)	4.58	7.16	-13.34	1	5	0	56	379.429	10	↓ MOL2 SDF SMILES Flexibase

11541552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide 2-[(5-anilino-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)	4.29	9.25	-10.74	1	5	0	58	348.497	8	↓ MOL2 SDF SMILES Flexibase

18954272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-one 4-[(5-anilino-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)	3.18	7.28	-13.98	1	4	0	55	279.39	6	↓ MOL2 SDF SMILES Flexibase

53365980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetami 2-[[5-(3,4-dimethylanilino)-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)	4.47	8.69	-12.78	1	5	0	58	390.456	7	↓ MOL2 SDF SMILES Flexibase

53405692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 2-[[5-(4-methoxyanilino)-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)	3.70	6.76	-13.59	1	6	0	67	392.428	8	↓ MOL2 SDF SMILES Flexibase

20361789

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.64	6.92	-46.23	1	5	-1	78	314.799	5	↓ MOL2 SDF SMILES Flexibase

20361791

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	6.72	-46.77	1	5	-1	78	314.799	5	↓ MOL2 SDF SMILES Flexibase

20361792

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.35	8.43	-48.15	1	5	-1	78	322.435	7	↓ MOL2 SDF SMILES Flexibase

20361793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2-ethyl-6-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.88	7.44	-47.62	1	5	-1	78	308.408	6	↓ MOL2 SDF SMILES Flexibase

20361794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(2-ethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(2-ethylphenyl)amino]-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)	3.48	7.23	-47.8	1	5	-1	78	294.381	6	↓ MOL2 SDF SMILES Flexibase

20361799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(3-bromophenyl)amino]-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)	3.40	6.19	-46.52	1	5	-1	78	345.223	5	↓ MOL2 SDF SMILES Flexibase

36335673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(dimethylamino)anilino]-1,3,4-thiadiazole-2-thiol 5-[4-(dimethylamino)anilino]-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)	3.27	5.58	-42.55	1	4	-1	41	251.36	3	↓ MOL2 SDF SMILES Flexibase

36335677

Analogs

44880302

Draw Identity 99% 90% 80% 70%

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

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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)	2.72	6.92	-46.54	1	6	-1	81	309.396	6	↓ MOL2 SDF SMILES Flexibase

22361816

Analogs

42103871
42103875

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-butyl-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (2R)-N-butyl-2-[[5-[(3-methoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	6.51	-13.47	2	6	0	76	366.512	9	↓ MOL2 SDF SMILES Flexibase

22361818

Analogs

42103871
42103875

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-butyl-2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (2S)-N-butyl-2-[[5-[(3-methoxyph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	6.5	-16.44	2	6	0	76	366.512	9	↓ MOL2 SDF SMILES Flexibase

12537991

Analogs

6559456

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(3-acetamidophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-acetamide 2-[[5-[(3-acetamidophenyl)amino]…

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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	3.88	-15.82	3	7	0	96	351.457	7	↓ MOL2 SDF SMILES Flexibase

23361619

Analogs

23361623
23361626
23361630
4838823

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentyl-propanamide (2R)-2-[[5-[(4-methoxyphenyl)ami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	7.27	-14.97	2	6	0	76	380.539	10	↓ MOL2 SDF SMILES Flexibase

23361623

Analogs

23361626
23361630
4838823
23361619

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentyl-propanamide (2S)-2-[[5-[(4-methoxyphenyl)ami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	7.27	-15.01	2	6	0	76	380.539	10	↓ MOL2 SDF SMILES Flexibase

23361641

Analogs

23361645
3500405
4838823

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-isopentyl-2-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (2S)-N-isopentyl-2-[[5-[(4-metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.55	7	-11.15	2	6	0	76	380.539	9	↓ MOL2 SDF SMILES Flexibase

23361645

Analogs

3500405
4838823
23361641

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-isopentyl-2-[[5-[(4-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (2R)-N-isopentyl-2-[[5-[(4-metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.55	6.99	-11.12	2	6	0	76	380.539	9	↓ MOL2 SDF SMILES Flexibase

58322458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide 3-[[5-(3-bromoanilino)-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)	3.15	4.07	-14.15	3	5	0	81	359.274	6	↓ MOL2 SDF SMILES Flexibase

58327249

Analogs

4541301
4541302

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one 1-[[5-(3-methoxyanilino)-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)	3.45	6.6	-13.29	1	5	0	64	309.416	7	↓ MOL2 SDF SMILES Flexibase

60569598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-propan-2-ol 1-[[5-(2,3-dimethylanilino)-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)	4.35	6.05	-8.64	2	4	0	58	309.46	5	↓ MOL2 SDF SMILES Flexibase

13796924

Analogs

1735375

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-chloro-6-methyl-phenyl)amino]-3H-1,3,4-thiadiazole-2-thione 5-[(2-chloro-6-methyl-phenyl)ami…

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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)	4.19	6.46	-43.69	1	3	-1	38	256.763	2	↓ MOL2 SDF SMILES Flexibase

68882752

Analogs

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Popular Name: 3-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol 3-[[5-[4-(difluoromethylsulfanyl…

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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)	4.00	5.32	-9.93	2	4	0	58	349.453	8	↓ MOL2 SDF SMILES Flexibase

3402544

Analogs

3402549

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Popular Name: 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[(1S)-2-methoxy-1-methyl-ethyl]acetamide 2-[[5-(2,3-dimethylanilino)-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)	3.59	-1.82	-10.67	2	6	0	76	366.512	8	↓ MOL2 SDF SMILES Flexibase

3402549

Analogs

3402544

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[(1R)-2-methoxy-1-methyl-ethyl]acetamide 2-[[5-(2,3-dimethylanilino)-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)	3.59	-1.82	-10.69	2	6	0	76	366.512	8	↓ MOL2 SDF SMILES Flexibase

68955816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-methylsulfonylethylsulfanyl)-N-(p-tolyl)-1,3,4-thiadiazol-2-amine 5-(2-methylsulfonylethylsulfanyl…

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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)	3.22	4.82	-20.37	1	5	0	72	329.472	6	↓ MOL2 SDF SMILES Flexibase

62657356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-fluoro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazole-2-thiol 5-[2-fluoro-5-(trifluoromethyl)a…

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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	6.37	-39.39	1	3	-1	38	294.278	3	↓ MOL2 SDF SMILES Flexibase

62996754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(diethylamino)anilino]-1,3,4-thiadiazole-2-thiol 5-[4-(diethylamino)anilino]-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)	4.02	7.54	-59.46	2	4	0	42	280.422	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.02	7.48	-42.36	1	4	-1	41	279.414	5	↓ MOL2 SDF SMILES Flexibase

69572322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol 3-[[5-(4-methylanilino)-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)	3.45	4.7	-9.08	2	4	0	58	281.406	6	↓ MOL2 SDF SMILES Flexibase

65723954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide 5-[[5-(2,3-dimethylanilino)-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)	3.95	6.43	-15.46	3	5	0	81	336.486	8	↓ MOL2 SDF SMILES Flexibase

65724708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide 5-[[5-(3-bromoanilino)-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)	3.93	5.62	-13.89	3	5	0	81	387.328	8	↓ MOL2 SDF SMILES Flexibase

69844404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1-sulfonamide 3-[[5-(3-fluoroanilino)-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)	2.56	2.43	-17.28	3	6	0	98	348.45	7	↓ MOL2 SDF SMILES Flexibase

67172670

Analogs

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Popular Name: 2-{5-[(2,5-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl}acetohydrazide 2-{5-[(2,5-dimethylphenyl)amino]…

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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)	1.04	3.94	-17.7	4	6	0	93	277.353	4	↓ MOL2 SDF SMILES Flexibase

69965013

Analogs

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Popular Name: 4-(1,3,4-thiadiazol-2-ylamino)benzoic 4-(1,3,4-thiadiazol-2-ylamino)be…

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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	5.26	-54.43	1	5	-1	78	220.233	3	↓ MOL2 SDF SMILES Flexibase

69965016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1,3,4-thiadiazol-2-ylamino)benzoic 3-(1,3,4-thiadiazol-2-ylamino)be…

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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	5.28	-63.02	1	5	-1	78	220.233	3	↓ MOL2 SDF SMILES Flexibase

69965073

Analogs

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Popular Name: 2-chloro-5-(1,3,4-thiadiazol-2-ylamino)benzoic 2-chloro-5-(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)	2.82	5.69	-47.75	1	5	-1	78	254.678	3	↓ MOL2 SDF SMILES Flexibase

69965119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-(1,3,4-thiadiazol-2-ylamino)benzoic 2-chloro-4-(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)	2.82	5.69	-51.98	1	5	-1	78	254.678	3	↓ MOL2 SDF SMILES Flexibase

69965162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-(1,3,4-thiadiazol-2-ylamino)benzoic 2-methyl-4-(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)	2.59	5.94	-55.75	1	5	-1	78	234.26	3	↓ MOL2 SDF SMILES Flexibase

69965282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-(1,3,4-thiadiazol-2-ylamino)benzoic 3-fluoro-4-(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)	2.65	5.45	-48.69	1	5	-1	78	238.223	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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