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ZINC Item

Suppliers, Protomers, & Similar Substances

20894202

Analogs

37058777

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-nitrophenyl)thiadiazole-4-carboxamide N-(3-nitrophenyl)thiadiazole-4-c…

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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)	1.60	3.52	-9.61	1	7	0	101	250.239	3	↓ MOL2 SDF SMILES Flexibase

20894204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide N-[2-(trifluoromethyl)phenyl]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)	2.51	4.12	-7.84	1	4	0	55	273.239	3	↓ MOL2 SDF SMILES Flexibase

62301061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isobutyl isobutyl

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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)	2.69	3.37	-10.26	2	7	0	93	320.374	6	↓ MOL2 SDF SMILES Flexibase

58352068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(isopropylcarbamoylamino)phenyl]thiadiazole-4-carboxamide N-[2-(isopropylcarbamoylamino)ph…

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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)	1.79	2.26	-11.45	3	7	0	96	305.363	4	↓ MOL2 SDF SMILES Flexibase

4889996

Analogs

4890013
35291275

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(4-fluorophenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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)	2.86	0.35	-12.42	1	6	0	75	336.392	5	↓ MOL2 SDF SMILES Flexibase

4890013

Analogs

4964751
39981480
4889996

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-phenyl- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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)	2.70	-0.43	-13.38	1	6	0	75	318.402	5	↓ MOL2 SDF SMILES Flexibase

4890035

Analogs

4964824

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(2-methylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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)	3.10	0.77	-12.52	1	6	0	75	332.429	5	↓ MOL2 SDF SMILES Flexibase

4890060

Analogs

4890129
4890219
33889158
39981480

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(3-methylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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	-0.07	-13.27	1	6	0	75	332.429	5	↓ MOL2 SDF SMILES Flexibase

4890086

Analogs

4964707
4964751
33889158
39981480

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(4-methylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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	-0.07	-13.05	1	6	0	75	332.429	5	↓ MOL2 SDF SMILES Flexibase

4890102

Analogs

4890227
39981480

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(2,4-dimethylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	1.04	-12.83	1	6	0	75	346.456	5	↓ MOL2 SDF SMILES Flexibase

4890108

Analogs

33889158

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(2,5-dimethylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	1.09	-12.89	1	6	0	75	346.456	5	↓ MOL2 SDF SMILES Flexibase

4890129

Analogs

4890219
33889158
39981480
4890060

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(3,5-dimethylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	0.25	-13.36	1	6	0	75	346.456	5	↓ MOL2 SDF SMILES Flexibase

4890153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(4-methoxyphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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)	2.75	-0.39	-14.02	1	7	0	84	348.428	6	↓ MOL2 SDF SMILES Flexibase

4890155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(4-ethoxyphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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	-0.37	-13.82	1	7	0	84	362.455	7	↓ MOL2 SDF SMILES Flexibase

4890219

Analogs

15936147
35291277
1378413
1378414

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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)	3.57	1.78	-14.41	1	6	0	75	386.399	6	↓ MOL2 SDF SMILES Flexibase

4890227

Analogs

39981480
4890102

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-(2,4,6-trimethylphenyl)- (9CI) 1,2,3-Thiadiazole-4-carboxamide,…

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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)	3.90	1.53	-11.96	1	6	0	75	360.483	5	↓ MOL2 SDF SMILES Flexibase

66677933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-chloro-phenyl)thiadiazole-4-carboxamide N-(5-bromo-2-chloro-phenyl)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)	3.08	4	-6.69	1	4	0	55	318.583	2	↓ MOL2 SDF SMILES Flexibase

56151268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-(propylcarbamoyl)phenyl]thiadiazole-4-carboxamide N-[3-chloro-4-(propylcarbamoyl)p…

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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)	2.34	3.16	-14.86	2	6	0	84	324.793	5	↓ MOL2 SDF SMILES Flexibase

67045257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: S-[2-(thiadiazole-4-carbonylamino)phenyl] S-[2-(thiadiazole-4-carbonylamin…

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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)	1.94	3.5	-14.16	1	6	0	75	308.388	4	↓ MOL2 SDF SMILES Flexibase

48783049

Analogs

37120273

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-carbamoyl-3-fluoro-2-methyl-phenyl)thiadiazole-4-carboxamide N-(5-carbamoyl-3-fluoro-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)	0.95	0.42	-13.36	3	6	0	98	280.284	3	↓ MOL2 SDF SMILES Flexibase

48783102

Analogs

37120498

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamido-4-methyl-phenyl)thiadiazole-4-carboxamide N-(3-acetamido-4-methyl-phenyl)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)	1.25	2.55	-13.83	2	6	0	84	276.321	3	↓ MOL2 SDF SMILES Flexibase

48783125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamido-3-methoxy-phenyl)thiadiazole-4-carboxamide N-(4-acetamido-3-methoxy-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)	0.86	1.08	-12.55	2	7	0	93	292.32	4	↓ MOL2 SDF SMILES Flexibase

48783222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(trifluoromethylsulfanyl)phenyl]thiadiazole-4-carboxamide N-[4-(trifluoromethylsulfanyl)ph…

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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)	5.64	4.24	-6.55	1	4	0	55	305.306	4	↓ MOL2 SDF SMILES Flexibase

48790706

Analogs

37046999

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(dimethylamino)-2-oxo-ethyl]phenyl]thiadiazole-4-carboxamide N-[4-[2-(dimethylamino)-2-oxo-et…

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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	3.66	-15.66	1	6	0	75	290.348	4	↓ MOL2 SDF SMILES Flexibase

48791378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methoxy-phenyl)thiadiazole-4-carboxamide N-(3-fluoro-4-methoxy-phenyl)thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	2.13	-11.22	1	5	0	64	253.258	3	↓ MOL2 SDF SMILES Flexibase

48791440

Analogs

37106238
39697466

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-isopropoxyphenyl)thiadiazole-4-carboxamide N-(4-isopropoxyphenyl)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)	2.46	3.66	-7.98	1	5	0	64	263.322	4	↓ MOL2 SDF SMILES Flexibase

48791638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-fluoro-phenyl)thiadiazole-4-carboxamide N-(4-chloro-3-fluoro-phenyl)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)	2.43	3.33	-8.57	1	4	0	55	257.677	2	↓ MOL2 SDF SMILES Flexibase

48791754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyanomethoxy)phenyl]thiadiazole-4-carboxamide N-[3-(cyanomethoxy)phenyl]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)	1.48	2.77	-15.19	1	6	0	88	260.278	4	↓ MOL2 SDF SMILES Flexibase

48792695

Analogs

37127319

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-2-(dimethylamino)phenyl]thiadiazole-4-carboxamide N-[3-chloro-2-(dimethylamino)phe…

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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)	2.34	4.82	-6.63	1	5	0	58	282.756	3	↓ MOL2 SDF SMILES Flexibase

48793894

Analogs

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Popular Name: N-[4-(ethylcarbamoyl)phenyl]thiadiazole-4-carboxamide N-[4-(ethylcarbamoyl)phenyl]thia…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.23	1.87	-11.71	2	6	0	84	276.321	4	↓ MOL2 SDF SMILES Flexibase

48794318

Analogs

36991298
37090986
37124847

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(diethylaminomethyl)phenyl]thiadiazole-4-carboxamide N-[2-(diethylaminomethyl)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)	2.17	6.26	-35.66	2	5	1	59	291.4	6	↓ MOL2 SDF SMILES Flexibase

48794384

Analogs

37091489

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-bromo-2-methyl-phenyl)thiadiazole-4-carboxamide N-(5-bromo-2-methyl-phenyl)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)	2.85	4.28	-7.97	1	4	0	55	298.165	2	↓ MOL2 SDF SMILES Flexibase

48795299

Analogs

37091646

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-amino-3-oxo-propoxy)phenyl]thiadiazole-4-carboxamide N-[2-(3-amino-3-oxo-propoxy)phen…

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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)	0.67	-0.02	-12.9	3	7	0	107	292.32	6	↓ MOL2 SDF SMILES Flexibase

48795377

Analogs

37057754
37091863

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethoxy-4-methoxy-phenyl)thiadiazole-4-carboxamide N-(3-ethoxy-4-methoxy-phenyl)thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.68	2.88	-9.97	1	6	0	73	279.321	5	↓ MOL2 SDF SMILES Flexibase

48795396

Analogs

37092196

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxy-4-fluoro-phenyl)thiadiazole-4-carboxamide N-(2-ethoxy-4-fluoro-phenyl)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)	2.18	3.17	-7.22	1	5	0	64	267.285	4	↓ MOL2 SDF SMILES Flexibase

48795414

Analogs

37019108

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	1.37	0.98	-10.75	2	7	0	93	278.293	4	↓ MOL2 SDF SMILES Flexibase

48795706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-methoxyethoxymethyl)phenyl]thiadiazole-4-carboxamide N-[3-(2-methoxyethoxymethyl)phen…

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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)	1.39	2.71	-10.7	1	6	0	73	293.348	7	↓ MOL2 SDF SMILES Flexibase

48795985

Analogs

37087031

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-ethoxy-phenyl)thiadiazole-4-carboxamide N-(3-chloro-4-ethoxy-phenyl)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)	2.70	3.52	-9.83	1	5	0	64	283.74	4	↓ MOL2 SDF SMILES Flexibase

48796239

Analogs

37123387

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-chloro-2-(ethylcarbamoyl)phenyl]thiadiazole-4-carboxamide N-[5-chloro-2-(ethylcarbamoyl)ph…

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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)	1.84	2.84	-12.98	2	6	0	84	310.766	4	↓ MOL2 SDF SMILES Flexibase

48796304

Analogs

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Popular Name: N-[4-(2-dimethylaminoethyloxy)phenyl]thiadiazole-4-carboxamide N-[4-(2-dimethylaminoethyloxy)ph…

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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)	1.75	4.42	-40.75	2	6	1	69	293.372	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.75	1.94	-9.27	1	6	0	67	292.364	6	↓ MOL2 SDF SMILES Flexibase

48797684

Analogs

36995627

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-isobutoxyphenyl)thiadiazole-4-carboxamide N-(3-isobutoxyphenyl)thiadiazole…

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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	4.47	-9.71	1	5	0	64	277.349	5	↓ MOL2 SDF SMILES Flexibase

48940623

Analogs

37781324

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-(dimethylamino)phenyl]thiadiazole-4-carboxamide N-[3-chloro-4-(dimethylamino)phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	4.35	-8.39	1	5	0	58	282.756	3	↓ MOL2 SDF SMILES Flexibase

48940904

Analogs

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Popular Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide N-[4-methoxy-2-(trifluoromethyl)…

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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)	2.54	3.28	-8	1	5	0	64	303.265	4	↓ MOL2 SDF SMILES Flexibase

48941196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(dimethylamino)-3,5-difluoro-phenyl]thiadiazole-4-carboxamide N-[4-(dimethylamino)-3,5-difluor…

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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)	1.95	3.81	-7.84	1	5	0	58	284.291	3	↓ MOL2 SDF SMILES Flexibase

48942667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-chloro-5-(propanoylamino)phenyl]thiadiazole-4-carboxamide N-[2-chloro-5-(propanoylamino)ph…

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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)	2.32	3.1	-11.19	2	6	0	84	310.766	4	↓ MOL2 SDF SMILES Flexibase

48942735

Analogs

36995627

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-butoxyphenyl)thiadiazole-4-carboxamide N-(3-butoxyphenyl)thiadiazole-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)	3.13	4.56	-9.77	1	5	0	64	277.349	6	↓ MOL2 SDF SMILES Flexibase

48943037

Analogs

37126255

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-methoxypropoxy)phenyl]thiadiazole-4-carboxamide N-[2-(3-methoxypropoxy)phenyl]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)	1.92	2.97	-10.17	1	6	0	73	293.348	7	↓ MOL2 SDF SMILES Flexibase

48943514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)thiadiazole-4-carboxamide N-(2-bromo-4,5-dimethoxy-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)	2.04	2.71	-9	1	6	0	73	344.19	4	↓ MOL2 SDF SMILES Flexibase

48944865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-cyano-2-isopropoxy-phenyl)thiadiazole-4-carboxamide N-(5-cyano-2-isopropoxy-phenyl)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)	2.14	4.21	-10.49	1	6	0	88	288.332	4	↓ MOL2 SDF SMILES Flexibase

48945324

Analogs

37125180

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-(dimethylamino)-2-oxo-ethyl]phenyl]thiadiazole-4-carboxamide N-[2-[2-(dimethylamino)-2-oxo-et…

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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)	0.70	3.87	-13.49	1	6	0	75	290.348	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 78885
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 = 78885 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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