ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

56736211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-bromophenyl)methyl]thiadiazole-4-carboxamide N-[(3-bromophenyl)methyl]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)	2.15	3.48	-7.2	1	4	0	55	298.165	3	↓ MOL2 SDF SMILES Flexibase

56887014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]thiadiazole-4-carboxamide N-[(1S)-1-[4-(trifluoromethoxy)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)	2.89	3.5	-7.24	1	5	0	64	317.292	5	↓ MOL2 SDF SMILES Flexibase

56887015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]thiadiazole-4-carboxamide N-[(1R)-1-[4-(trifluoromethoxy)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)	2.89	3.5	-7.24	1	5	0	64	317.292	5	↓ MOL2 SDF SMILES Flexibase

58313410

Analogs

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Popular Name: N-[(4-tert-butoxyphenyl)methyl]thiadiazole-4-carboxamide N-[(4-tert-butoxyphenyl)methyl]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)	2.60	4	-8.07	1	5	0	64	291.376	5	↓ MOL2 SDF SMILES Flexibase

4890157

Analogs

4890158

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-N-[phenyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-isopentyl-N-[phenyl-(tert-buty…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	0.77	-11.13	1	6	0	75	388.537	8	↓ MOL2 SDF SMILES Flexibase

4890158

Analogs

4890157

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-N-[phenyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-isopentyl-N-[phenyl-(tert-buty…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	0.62	-7.66	1	6	0	75	388.537	8	↓ MOL2 SDF SMILES Flexibase

4890160

Analogs

4890163

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-N-[p-tolyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-isopentyl-N-[p-tolyl-(tert-but…

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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)	4.18	0.93	-7.19	1	6	0	75	402.564	8	↓ MOL2 SDF SMILES Flexibase

4890163

Analogs

4890160

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopentyl-N-[p-tolyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-isopentyl-N-[p-tolyl-(tert-but…

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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)	4.18	0.68	-9.39	1	6	0	75	402.564	8	↓ MOL2 SDF SMILES Flexibase

4890174

Analogs

4890177

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)-(tert-butylcarbamoyl)methyl]-N-isopentyl-thiadiazole-4-carboxamide N-[(4-chlorophenyl)-(tert-butylc…

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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)	4.41	0.47	-6.7	1	6	0	75	422.982	8	↓ MOL2 SDF SMILES Flexibase

4890177

Analogs

4890174

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)-(tert-butylcarbamoyl)methyl]-N-isopentyl-thiadiazole-4-carboxamide N-[(4-chlorophenyl)-(tert-butylc…

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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)	4.41	0.22	-8.51	1	6	0	75	422.982	8	↓ MOL2 SDF SMILES Flexibase

4890179

Analogs

4890181

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)-(tert-butylcarbamoyl)methyl]-N-isopentyl-thiadiazole-4-carboxamide N-[(4-fluorophenyl)-(tert-butylc…

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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	1.35	-7.24	1	6	0	75	406.527	8	↓ MOL2 SDF SMILES Flexibase

4890181

Analogs

4890179

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)-(tert-butylcarbamoyl)methyl]-N-isopentyl-thiadiazole-4-carboxamide N-[(4-fluorophenyl)-(tert-butylc…

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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	1.11	-8.88	1	6	0	75	406.527	8	↓ MOL2 SDF SMILES Flexibase

4890229

Analogs

4964853
4964874
4965201
4965203
12472031

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)methyl]- (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)	2.56	0.57	-13.27	1	6	0	75	350.419	6	↓ MOL2 SDF SMILES Flexibase

4890236

Analogs

4890249
4964877
4964891

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[(2-chlorophenyl)methyl]-N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]- (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)	3.03	-0.29	-11.36	1	6	0	75	366.874	6	↓ MOL2 SDF SMILES Flexibase

4890246

Analogs

4890249
4964881

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)methyl]- (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)	2.85	0.16	-12.9	1	6	0	75	346.456	6	↓ MOL2 SDF SMILES Flexibase

4890249

Analogs

12472031
12472173
1346782

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[(4-chlorophenyl)methyl]-N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]- (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)	3.08	-0.31	-12.68	1	6	0	75	366.874	6	↓ MOL2 SDF SMILES Flexibase

4890253

Analogs

4964905
12872508
1378450

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-Thiadiazole-4-carboxamide, N-[2-[(1,1-dimethylethyl)amino]-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]- (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)	2.41	-0.1	-12.37	1	7	0	84	362.455	7	↓ MOL2 SDF SMILES Flexibase

4890275

Analogs

4890277
4890290
4890292

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-[phenyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-(2-methoxyethyl)-N-[phenyl-(te…

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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)	2.06	0.63	-8.17	1	7	0	84	376.482	8	↓ MOL2 SDF SMILES Flexibase

4890277

Analogs

4890290
4890292
4890275

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-[phenyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-(2-methoxyethyl)-N-[phenyl-(te…

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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)	2.06	-0.2	-10.78	1	7	0	84	376.482	8	↓ MOL2 SDF SMILES Flexibase

4890290

Analogs

4890292
4890275
4890277

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-[p-tolyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-(2-methoxyethyl)-N-[p-tolyl-(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)	2.51	0.6	-7.9	1	7	0	84	390.509	8	↓ MOL2 SDF SMILES Flexibase

4890292

Analogs

4890275
4890277

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-N-[p-tolyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-(2-methoxyethyl)-N-[p-tolyl-(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)	2.51	0.57	-11.89	1	7	0	84	390.509	8	↓ MOL2 SDF SMILES Flexibase

4890299

Analogs

4890300

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)-(tert-butylcarbamoyl)methyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-[(4-chlorophenyl)-(tert-butylc…

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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)	2.74	0.1	-11.5	1	7	0	84	410.927	8	↓ MOL2 SDF SMILES Flexibase

4890300

Analogs

4890299

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)-(tert-butylcarbamoyl)methyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-[(4-chlorophenyl)-(tert-butylc…

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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)	2.74	-0.71	-8.39	1	7	0	84	410.927	8	↓ MOL2 SDF SMILES Flexibase

4890303

Analogs

4890304

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)-(tert-butylcarbamoyl)methyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-[(4-fluorophenyl)-(tert-butylc…

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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)	2.23	0.99	-12	1	7	0	84	394.472	8	↓ MOL2 SDF SMILES Flexibase

4890304

Analogs

4890306
4890307
4890303

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)-(tert-butylcarbamoyl)methyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide N-[(4-fluorophenyl)-(tert-butylc…

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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)	2.23	0.18	-8.9	1	7	0	84	394.472	8	↓ MOL2 SDF SMILES Flexibase

4890383

Analogs

4890384

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[phenyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[phenyl-(tert-butylcar…

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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)	2.73	0.13	-8.68	1	6	0	75	358.467	7	↓ MOL2 SDF SMILES Flexibase

4890384

Analogs

4890383

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[phenyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[phenyl-(tert-butylcar…

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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)	2.73	0.57	-9.25	1	6	0	75	358.467	7	↓ MOL2 SDF SMILES Flexibase

4890392

Analogs

4890443
4890446

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[p-tolyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[p-tolyl-(tert-butylca…

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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	0.84	-8.05	1	6	0	75	372.494	7	↓ MOL2 SDF SMILES Flexibase

4890395

Analogs

4890443
4890446

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[p-tolyl-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[p-tolyl-(tert-butylca…

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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	0.55	-8.64	1	6	0	75	372.494	7	↓ MOL2 SDF SMILES Flexibase

4890401

Analogs

4890403

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(4-chlorophenyl)-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[(4-chlorophenyl)-(ter…

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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	0.08	-8.18	1	6	0	75	392.912	7	↓ MOL2 SDF SMILES Flexibase

4890403

Analogs

4890401

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(4-chlorophenyl)-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[(4-chlorophenyl)-(ter…

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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	0.37	-7.71	1	6	0	75	392.912	7	↓ MOL2 SDF SMILES Flexibase

4890412

Analogs

4890415

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(4-fluorophenyl)-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[(4-fluorophenyl)-(ter…

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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)	2.89	0.97	-8.71	1	6	0	75	376.457	7	↓ MOL2 SDF SMILES Flexibase

4890415

Analogs

4890412

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(4-fluorophenyl)-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[(4-fluorophenyl)-(ter…

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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)	2.89	0.65	-9.08	1	6	0	75	376.457	7	↓ MOL2 SDF SMILES Flexibase

4890443

Analogs

4890446
4890392
4890395

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(4-ethylphenyl)-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[(4-ethylphenyl)-(tert…

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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	1	-7.9	1	6	0	75	386.521	8	↓ MOL2 SDF SMILES Flexibase

4890446

Analogs

4890392
4890395

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(4-ethylphenyl)-(tert-butylcarbamoyl)methyl]-thiadiazole-4-carboxamide N-allyl-N-[(4-ethylphenyl)-(tert…

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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	0.71	-8.39	1	6	0	75	386.521	8	↓ MOL2 SDF SMILES Flexibase

69491904

Analogs

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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)	1.87	6.76	-12.26	0	6	0	72	305.359	6	↓ MOL2 SDF SMILES Flexibase

64536770

Analogs

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Popular Name: N-[[4-(difluoromethylsulfanyl)phenyl]methyl]-N-methyl-thiadiazole-4-carboxamide N-[[4-(difluoromethylsulfanyl)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)	2.60	6.58	-10.25	0	4	0	46	315.37	5	↓ MOL2 SDF SMILES Flexibase

69844656

Analogs

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Popular Name: N-benzyl-N-(2,2-dimethylpropyl)thiadiazole-4-carboxamide N-benzyl-N-(2,2-dimethylpropyl)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)	3.31	8.18	-6.8	0	4	0	46	289.404	5	↓ MOL2 SDF SMILES Flexibase

48782197

Analogs

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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)	1.07	1.09	-11.7	2	7	0	93	292.32	5	↓ MOL2 SDF SMILES Flexibase

48783237

Analogs

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Popular Name: N-[(3-butoxyphenyl)methyl]thiadiazole-4-carboxamide N-[(3-butoxyphenyl)methyl]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)	2.83	4.67	-8.09	1	5	0	64	291.376	7	↓ MOL2 SDF SMILES Flexibase

48790714

Analogs

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Popular Name: N-[[4-(isopropoxymethyl)phenyl]methyl]thiadiazole-4-carboxamide N-[[4-(isopropoxymethyl)phenyl]m…

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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)	2.05	4.32	-8.11	1	5	0	64	291.376	6	↓ MOL2 SDF SMILES Flexibase

48790721

Analogs

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Popular Name: N-[[3-(isopropoxymethyl)phenyl]methyl]thiadiazole-4-carboxamide N-[[3-(isopropoxymethyl)phenyl]m…

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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)	2.03	4.31	-8.23	1	5	0	64	291.376	6	↓ MOL2 SDF SMILES Flexibase

48792719

Analogs

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Popular Name: N-[(4-propoxyphenyl)methyl]thiadiazole-4-carboxamide N-[(4-propoxyphenyl)methyl]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)	2.30	3.89	-7.83	1	5	0	64	277.349	6	↓ MOL2 SDF SMILES Flexibase

48793502

Analogs

37062130
37062129
36982047
36982048

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]thiadiazole-4-carboxamide N-[(1S)-1-(3,4-dimethoxyphenyl)e…

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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)	1.57	2.9	-10.47	1	6	0	73	293.348	5	↓ MOL2 SDF SMILES Flexibase

48793504

Analogs

37062130
37062129
36982047
36982048

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]thiadiazole-4-carboxamide N-[(1R)-1-(3,4-dimethoxyphenyl)e…

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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)	1.57	2.9	-10.5	1	6	0	73	293.348	5	↓ MOL2 SDF SMILES Flexibase

48794321

Analogs

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Popular Name: N-[[3-(2-methoxyethoxy)phenyl]methyl]thiadiazole-4-carboxamide N-[[3-(2-methoxyethoxy)phenyl]me…

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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)	1.28	2.36	-10.5	1	6	0	73	293.348	7	↓ MOL2 SDF SMILES Flexibase

48794429

Analogs

37089997

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-fluoro-2-methoxy-phenyl)ethyl]thiadiazole-4-carboxamide N-[(1S)-1-(5-fluoro-2-methoxy-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)	2.07	3.18	-8.84	1	5	0	64	281.312	4	↓ MOL2 SDF SMILES Flexibase

48794431

Analogs

37089997

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-fluoro-2-methoxy-phenyl)ethyl]thiadiazole-4-carboxamide N-[(1R)-1-(5-fluoro-2-methoxy-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)	2.07	3.17	-8.87	1	5	0	64	281.312	4	↓ MOL2 SDF SMILES Flexibase

48795444

Analogs

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Popular Name: N-[[2-(propoxymethyl)phenyl]methyl]thiadiazole-4-carboxamide N-[[2-(propoxymethyl)phenyl]meth…

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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)	2.15	4.51	-7.45	1	5	0	64	291.376	7	↓ MOL2 SDF SMILES Flexibase

48795927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-isopropoxyphenyl)methyl]thiadiazole-4-carboxamide N-[(3-isopropoxyphenyl)methyl]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)	2.13	3.71	-7.87	1	5	0	64	277.349	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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