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ZINC Item

Suppliers, Protomers, & Similar Substances

27315891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[2-(2-methoxyphenyl)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)	2.57	4.67	-10.18	1	5	0	64	291.376	6	↓ MOL2 SDF SMILES Flexibase

27316794

Analogs

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Popular Name: 4-ethyl-N-[(2S)-2-phenylpropyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2S)-2-phenylpropyl]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)	3.36	5.9	-8.94	1	4	0	55	275.377	5	↓ MOL2 SDF SMILES Flexibase

27316800

Analogs

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Popular Name: 4-ethyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2R)-2-phenylpropyl]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)	3.36	5.9	-8.97	1	4	0	55	275.377	5	↓ MOL2 SDF SMILES Flexibase

22678871

Analogs

30782410
8276955

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Popular Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[2-(3,4-diethoxyphenyl)ethyl]-…

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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)	2.96	6.35	-14.08	1	6	0	73	349.456	9	↓ MOL2 SDF SMILES Flexibase

22681989

Analogs

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Popular Name: N-[(2R)-2-(2-chlorophenyl)-2-diethylamino-ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[(2R)-2-(2-chlorophenyl)-2-die…

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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	8.45	-45.05	2	5	1	59	367.926	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.75	6.9	-7.35	1	5	0	58	366.918	8	↓ MOL2 SDF SMILES Flexibase

22681992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-chlorophenyl)-2-diethylamino-ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[(2S)-2-(2-chlorophenyl)-2-die…

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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	8.66	-44.56	2	5	1	59	367.926	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.75	7.05	-7.04	1	5	0	58	366.918	8	↓ MOL2 SDF SMILES Flexibase

22683180

Analogs

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Popular Name: N-[(2S)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[(2S)-2-dimethylamino-2-(3-flu…

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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	6.37	-54.26	2	5	1	59	323.417	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.51	4.04	-9.42	1	5	0	58	322.409	6	↓ MOL2 SDF SMILES Flexibase

22683184

Analogs

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Popular Name: N-[(2R)-2-dimethylamino-2-(3-fluorophenyl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[(2R)-2-dimethylamino-2-(3-flu…

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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	6.95	-53.45	2	5	1	59	323.417	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.51	4.71	-8.89	1	5	0	58	322.409	6	↓ MOL2 SDF SMILES Flexibase

22689174

Analogs

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Popular Name: 4-ethyl-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2S)-2-hydroxy-2-(4-n…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	2.66	-16.74	2	8	0	121	322.346	6	↓ MOL2 SDF SMILES Flexibase

22689178

Analogs

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Popular Name: 4-ethyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2R)-2-hydroxy-2-(4-n…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	2.75	-16.67	2	8	0	121	322.346	6	↓ MOL2 SDF SMILES Flexibase

22701066

Analogs

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Popular Name: N-[(2R)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[(2R)-2-diethylamino-2-(3-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)	3.15	7.22	-46.22	2	6	1	69	363.507	9	↓ MOL2 SDF SMILES Flexibase

22701068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-diethylamino-2-(3-methoxyphenyl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[(2S)-2-diethylamino-2-(3-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)	3.15	6.95	-45.41	2	6	1	69	363.507	9	↓ MOL2 SDF SMILES Flexibase

58332928

Analogs

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Popular Name: 4-ethyl-N-[2-(m-tolyl)ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[2-(m-tolyl)ethyl]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)	2.98	5.95	-7.67	1	4	0	55	275.377	5	↓ MOL2 SDF SMILES Flexibase

62838247

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]-4-methyl-thiadiazole-5-carboxamide N-[(2R)-2-amino-2-phenyl-ethyl]-…

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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	2.18	-57.38	4	5	1	83	263.346	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.70	1.73	-6.92	3	5	0	81	262.338	4	↓ MOL2 SDF SMILES Flexibase

62838248

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]-4-methyl-thiadiazole-5-carboxamide N-[(2S)-2-amino-2-phenyl-ethyl]-…

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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	2.18	-57.32	4	5	1	83	263.346	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.70	1.83	-7.95	3	5	0	81	262.338	4	↓ MOL2 SDF SMILES Flexibase

62838291

Analogs

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Popular Name: N-[(2S)-2-amino-2-phenyl-ethyl]thiadiazole-5-carboxamide N-[(2S)-2-amino-2-phenyl-ethyl]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)	-0.92	1.59	-58.15	4	5	1	83	249.319	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.92	1.14	-7.52	3	5	0	81	248.311	4	↓ MOL2 SDF SMILES Flexibase

62838292

Analogs

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Popular Name: N-[(2R)-2-amino-2-phenyl-ethyl]thiadiazole-5-carboxamide N-[(2R)-2-amino-2-phenyl-ethyl]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)	-0.92	1.59	-58.18	4	5	1	83	249.319	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.92	1.23	-8.64	3	5	0	81	248.311	4	↓ MOL2 SDF SMILES Flexibase

48793426

Analogs

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Popular Name: N-[2-(2,3-dichlorophenyl)ethyl]thiadiazole-5-carboxamide N-[2-(2,3-dichlorophenyl)ethyl]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)	3.03	4.8	-10.41	1	4	0	55	302.186	4	↓ MOL2 SDF SMILES Flexibase

48943203

Analogs

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Popular Name: N-[2-[2-(trifluoromethyl)phenyl]ethyl]thiadiazole-5-carboxamide N-[2-[2-(trifluoromethyl)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)	2.61	4.61	-9.48	1	4	0	55	301.293	5	↓ MOL2 SDF SMILES Flexibase

48943236

Analogs

7955815

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Popular Name: N-[2-(2,6-dichlorophenyl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[2-(2,6-dichlorophenyl)ethyl]-…

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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)	3.82	6.14	-7.1	1	4	0	55	330.24	5	↓ MOL2 SDF SMILES Flexibase

48943283

Analogs

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Popular Name: N-[2-(2,6-dichlorophenyl)ethyl]thiadiazole-5-carboxamide N-[2-(2,6-dichlorophenyl)ethyl]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)	3.03	4.82	-8.02	1	4	0	55	302.186	4	↓ MOL2 SDF SMILES Flexibase

49248294

Analogs

8276955

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[2-(4-hydroxyphenyl)ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[2-(4-hydroxyphenyl)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)	2.08	2.43	-9.77	2	5	0	75	277.349	5	↓ MOL2 SDF SMILES Flexibase

49249350

Analogs

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Popular Name: N-[(1S)-2-(2,6-difluorophenyl)-1-methyl-ethyl]thiadiazole-5-carboxamide N-[(1S)-2-(2,6-difluorophenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	5.1	-7.58	1	4	0	55	283.303	4	↓ MOL2 SDF SMILES Flexibase

49249352

Analogs

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Popular Name: N-[(1R)-2-(2,6-difluorophenyl)-1-methyl-ethyl]thiadiazole-5-carboxamide N-[(1R)-2-(2,6-difluorophenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	5.09	-7.55	1	4	0	55	283.303	4	↓ MOL2 SDF SMILES Flexibase

49289855

Analogs

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Popular Name: N-[(2S)-2-(3-fluorophenyl)-2-hydroxy-ethyl]thiadiazole-5-carboxamide N-[(2S)-2-(3-fluorophenyl)-2-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	0.87	-10.1	2	5	0	75	267.285	4	↓ MOL2 SDF SMILES Flexibase

49289858

Analogs

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Popular Name: N-[(2R)-2-(3-fluorophenyl)-2-hydroxy-ethyl]thiadiazole-5-carboxamide N-[(2R)-2-(3-fluorophenyl)-2-hyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.92	0.97	-9.98	2	5	0	75	267.285	4	↓ MOL2 SDF SMILES Flexibase

49289897

Analogs

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Popular Name: 4-ethyl-N-[(2R)-2-(3-fluorophenyl)-2-hydroxy-ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2R)-2-(3-fluoropheny…

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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)	1.71	2.28	-9.24	2	5	0	75	295.339	5	↓ MOL2 SDF SMILES Flexibase

49289900

Analogs

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Popular Name: 4-ethyl-N-[(2S)-2-(3-fluorophenyl)-2-hydroxy-ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2S)-2-(3-fluoropheny…

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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)	1.71	2.18	-9.26	2	5	0	75	295.339	5	↓ MOL2 SDF SMILES Flexibase

49296649

Analogs

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Popular Name: N-[2-(3,5-dichlorophenyl)ethyl]thiadiazole-5-carboxamide N-[2-(3,5-dichlorophenyl)ethyl]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)	3.05	4.99	-9.56	1	4	0	55	302.186	4	↓ MOL2 SDF SMILES Flexibase

49296677

Analogs

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Popular Name: N-[2-(3,5-dichlorophenyl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[2-(3,5-dichlorophenyl)ethyl]-…

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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)	3.85	6.3	-8.57	1	4	0	55	330.24	5	↓ MOL2 SDF SMILES Flexibase

49316415

Analogs

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Popular Name: N-[(1S)-2-(3-chlorophenyl)-1-methyl-ethyl]thiadiazole-5-carboxamide N-[(1S)-2-(3-chlorophenyl)-1-met…

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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	5.5	-10.09	1	4	0	55	281.768	4	↓ MOL2 SDF SMILES Flexibase

49316417

Analogs

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Popular Name: N-[(1R)-2-(3-chlorophenyl)-1-methyl-ethyl]thiadiazole-5-carboxamide N-[(1R)-2-(3-chlorophenyl)-1-met…

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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	5.49	-8.83	1	4	0	55	281.768	4	↓ MOL2 SDF SMILES Flexibase

49319795

Analogs

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Popular Name: N-[2-(2,5-dimethoxyphenyl)ethyl]thiadiazole-5-carboxamide N-[2-(2,5-dimethoxyphenyl)ethyl]…

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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	2.61	-10.32	1	6	0	73	293.348	6	↓ MOL2 SDF SMILES Flexibase

49345678

Analogs

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Popular Name: N-[2-(3-bromo-4-fluoro-phenyl)ethyl]thiadiazole-5-carboxamide N-[2-(3-bromo-4-fluoro-phenyl)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)	2.67	4.63	-11.5	1	4	0	55	330.182	4	↓ MOL2 SDF SMILES Flexibase

49378733

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(p-tolyl)ethyl]thiadiazole-5-carboxamide N-[(2S)-2-(dimethylamino)-2-(p-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)	2.02	5.77	-45.58	2	5	1	59	291.4	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.02	3.53	-6.68	1	5	0	58	290.392	5	↓ MOL2 SDF SMILES Flexibase

49378736

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(p-tolyl)ethyl]thiadiazole-5-carboxamide N-[(2R)-2-(dimethylamino)-2-(p-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)	2.02	5.77	-46.13	2	5	1	59	291.4	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.02	3.73	-7.35	1	5	0	58	290.392	5	↓ MOL2 SDF SMILES Flexibase

49380474

Analogs

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Popular Name: N-[2-(2-chlorophenyl)ethyl]thiadiazole-5-carboxamide N-[2-(2-chlorophenyl)ethyl]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)	2.40	4.39	-8.77	1	4	0	55	267.741	4	↓ MOL2 SDF SMILES Flexibase

41950687

Analogs

41950691

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[(2R)-2-(dimethylamino)-2-(3-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)	2.40	5.7	-45.98	2	6	1	69	335.453	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	3.16	-8.12	1	6	0	67	334.445	7	↓ MOL2 SDF SMILES Flexibase

41950691

Analogs

41950687

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-ethyl-thiadiazole-5-carboxamide N-[(2S)-2-(dimethylamino)-2-(3-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)	2.40	5.7	-46.55	2	6	1	69	335.453	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.40	3.65	-6.86	1	6	0	67	334.445	7	↓ MOL2 SDF SMILES Flexibase

42035898

Analogs

41456475
41456478

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(2R)-2-hydroxy-2-phenyl-ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2R)-2-hydroxy-2-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)	1.57	2.21	-7.8	2	5	0	75	277.349	5	↓ MOL2 SDF SMILES Flexibase

42035900

Analogs

41456475
41456478

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(2S)-2-hydroxy-2-phenyl-ethyl]thiadiazole-5-carboxamide 4-ethyl-N-[(2S)-2-hydroxy-2-phen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.57	2.11	-7.87	2	5	0	75	277.349	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 11464
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 = 11464 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=11464&filter.purchasability=annotated

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', {
        "ring.id": "11464"        

    });
</script>

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