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ZINC Item

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52879069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-(1,2,5-thiadiazole-3-carbonylamino)propanoic (2R)-2-phenyl-2-(1,2,5-thiadiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	4.32	-51.38	1	6	-1	95	276.297	4	↓ MOL2 SDF SMILES Flexibase

52879071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-(1,2,5-thiadiazole-3-carbonylamino)propanoic (2S)-2-phenyl-2-(1,2,5-thiadiazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.24	4.32	-51.36	1	6	-1	95	276.297	4	↓ MOL2 SDF SMILES Flexibase

52899076

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…

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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)	0.34	1.2	-48.9	4	5	1	83	263.346	5	↓ MOL2 SDF SMILES Flexibase

63000521

Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1,2,5-thiadiazole-3-carboxamide N-[(1S)-2-hydroxy-1-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)	0.91	0.07	-5.79	2	5	0	75	249.295	4	↓ MOL2 SDF SMILES Flexibase

63000522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-1,2,5-thiadiazole-3-carboxamide N-[(1R)-2-hydroxy-1-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)	0.91	0.07	-5.77	2	5	0	75	249.295	4	↓ MOL2 SDF SMILES Flexibase

48792352

Analogs

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Popular Name: N-[(1S)-2,2-dimethyl-1-phenyl-propyl]-1,2,5-thiadiazole-3-carboxamide N-[(1S)-2,2-dimethyl-1-phenyl-pr…

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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)	3.25	4.89	-3.99	1	4	0	55	275.377	4	↓ MOL2 SDF SMILES Flexibase

48792354

Analogs

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Popular Name: N-[(1R)-2,2-dimethyl-1-phenyl-propyl]-1,2,5-thiadiazole-3-carboxamide N-[(1R)-2,2-dimethyl-1-phenyl-pr…

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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)	3.25	4.89	-4	1	4	0	55	275.377	4	↓ MOL2 SDF SMILES Flexibase

48795424

Analogs

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Popular Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide N-[[4-fluoro-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)	2.35	3.87	-6.39	1	4	0	55	305.256	4	↓ MOL2 SDF SMILES Flexibase

48796274

Analogs

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Popular Name: N-[(4-cyano-2-fluoro-phenyl)methyl]-N-ethyl-1,2,5-thiadiazole-3-carboxamide N-[(4-cyano-2-fluoro-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)	1.83	6.43	-11.27	0	5	0	70	290.323	4	↓ MOL2 SDF SMILES Flexibase

48797451

Analogs

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Popular Name: N-[(1R)-1-(2-isopropoxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide N-[(1R)-1-(2-isopropoxyphenyl)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	4.19	-6.46	1	5	0	64	291.376	5	↓ MOL2 SDF SMILES Flexibase

48797453

Analogs

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Popular Name: N-[(1S)-1-(2-isopropoxyphenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide N-[(1S)-1-(2-isopropoxyphenyl)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	4.2	-6.36	1	5	0	64	291.376	5	↓ MOL2 SDF SMILES Flexibase

48927365

Analogs

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Popular Name: N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-1,2,5-thiadiazole-3-carboxamide N-[(1R)-1-(3-chloro-4-fluoro-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)	2.69	3.79	-6.23	1	4	0	55	285.731	3	↓ MOL2 SDF SMILES Flexibase

48935776

Analogs

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Popular Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(4-ethoxy-3-methoxy-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)	1.38	2.49	-8.25	1	6	0	73	293.348	6	↓ MOL2 SDF SMILES Flexibase

48936301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-ethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(3-ethoxyphenyl)methyl]-1,2,5…

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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)	1.77	2.6	-5.97	1	5	0	64	263.322	5	↓ MOL2 SDF SMILES Flexibase

48936357

Analogs

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Popular Name: N-[(1S)-1-(4-fluorophenyl)-2,2-dimethyl-propyl]-1,2,5-thiadiazole-3-carboxamide N-[(1S)-1-(4-fluorophenyl)-2,2-d…

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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)	3.41	4.96	-4.62	1	4	0	55	293.367	4	↓ MOL2 SDF SMILES Flexibase

48936361

Analogs

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Popular Name: N-[(1R)-1-(4-fluorophenyl)-2,2-dimethyl-propyl]-1,2,5-thiadiazole-3-carboxamide N-[(1R)-1-(4-fluorophenyl)-2,2-d…

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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)	3.41	4.96	-4.64	1	4	0	55	293.367	4	↓ MOL2 SDF SMILES Flexibase

48936412

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	0.6	-9.29	2	7	0	93	292.32	5	↓ MOL2 SDF SMILES Flexibase

48938092

Analogs

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Popular Name: N-[(4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(4-propoxyphenyl)methyl]-1,2,…

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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)	2.30	3.4	-5.59	1	5	0	64	277.349	6	↓ MOL2 SDF SMILES Flexibase

48938414

Analogs

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Popular Name: N-[(1S)-1-(5-fluoro-2-methoxy-phenyl)ethyl]-1,2,5-thiadiazole-3-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	2.71	-6.39	1	5	0	64	281.312	4	↓ MOL2 SDF SMILES Flexibase

48938416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-fluoro-2-methoxy-phenyl)ethyl]-1,2,5-thiadiazole-3-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	2.7	-6.35	1	5	0	64	281.312	4	↓ MOL2 SDF SMILES Flexibase

48940984

Analogs

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Popular Name: N-[(4-isobutoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(4-isobutoxyphenyl)methyl]-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)	2.54	4.1	-5.42	1	5	0	64	291.376	6	↓ MOL2 SDF SMILES Flexibase

48942714

Analogs

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Popular Name: N-[(2-ethoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(2-ethoxyphenyl)methyl]-1,2,5…

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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	2.64	-6.05	1	5	0	64	263.322	5	↓ MOL2 SDF SMILES Flexibase

48952144

Analogs

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Popular Name: N-benzyl-N-(cyanomethyl)-1,2,5-thiadiazole-3-carboxamide N-benzyl-N-(cyanomethyl)-1,2,5-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)	1.39	5.58	-9.73	0	5	0	70	258.306	4	↓ MOL2 SDF SMILES Flexibase

48953083

Analogs

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Popular Name: N-[(3-isobutoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(3-isobutoxyphenyl)methyl]-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)	2.52	4.09	-5.62	1	5	0	64	291.376	6	↓ MOL2 SDF SMILES Flexibase

48976155

Analogs

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Popular Name: N-[(4-methylsulfanylphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(4-methylsulfanylphenyl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.80	3.39	-5.61	1	4	0	55	265.363	4	↓ MOL2 SDF SMILES Flexibase

49248837

Analogs

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Popular Name: N-[(3-hydroxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(3-hydroxyphenyl)methyl]-1,2,…

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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)	0.86	-0.48	-6.5	2	5	0	75	235.268	3	↓ MOL2 SDF SMILES Flexibase

49249391

Analogs

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Popular Name: N-ethyl-N-[(3-nitrophenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-ethyl-N-[(3-nitrophenyl)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)	1.92	6.72	-13.72	0	7	0	92	292.32	5	↓ MOL2 SDF SMILES Flexibase

49276420

Analogs

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Popular Name: N-(3-amino-3-oxo-propyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide N-(3-amino-3-oxo-propyl)-N-benzy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.61	2.72	-9.61	2	6	0	89	290.348	6	↓ MOL2 SDF SMILES Flexibase

49303974

Analogs

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Popular Name: N-(1-methyl-1-phenyl-ethyl)-1,2,5-thiadiazole-3-carboxamide N-(1-methyl-1-phenyl-ethyl)-1,2,…

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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)	2.37	3.67	-4.32	1	4	0	55	247.323	3	↓ MOL2 SDF SMILES Flexibase

49305812

Analogs

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Popular Name: N-prop-2-ynyl-N-(p-tolylmethyl)-1,2,5-thiadiazole-3-carboxamide N-prop-2-ynyl-N-(p-tolylmethyl)-…

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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)	2.21	7.1	-6.34	0	4	0	46	271.345	4	↓ MOL2 SDF SMILES Flexibase

49315117

Analogs

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Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(4-bromo-2-chloro-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)	2.78	3.44	-4.99	1	4	0	55	332.61	3	↓ MOL2 SDF SMILES Flexibase

49315581

Analogs

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Popular Name: N-[[4-(methanesulfonamido)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide N-[[4-(methanesulfonamido)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)	0.59	-1.01	-13.46	2	7	0	101	312.376	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.59	-0.85	-40.81	1	7	-1	103	311.368	5	↓ MOL2 SDF SMILES Flexibase

49316363

Analogs

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Popular Name: N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide N-[[3-(ethylcarbamoyl)phenyl]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)	0.91	1.48	-11.67	2	6	0	84	290.348	5	↓ MOL2 SDF SMILES Flexibase

49349109

Analogs

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Popular Name: N-[(3-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(3-propoxyphenyl)methyl]-1,2,…

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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)	2.27	3.41	-5.76	1	5	0	64	277.349	6	↓ MOL2 SDF SMILES Flexibase

49352986

Analogs

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Popular Name: N-[(3-carbamoylphenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide N-[(3-carbamoylphenyl)methyl]-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)	0.40	1.59	-16.05	2	6	0	89	276.321	4	↓ MOL2 SDF SMILES Flexibase

49379618

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(3-nitrophenyl)methyl]-1,2,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.30	3.1	-9.93	1	7	0	101	264.266	4	↓ MOL2 SDF SMILES Flexibase

49401065

Analogs

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Popular Name: N-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-[(4-hydroxy-3,5-dimethoxy-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)	0.72	-0.62	-9.49	2	7	0	94	295.32	5	↓ MOL2 SDF SMILES Flexibase

49403148

Analogs

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Popular Name: N-methyl-N-[(4-nitrophenyl)methyl]-1,2,5-thiadiazole-3-carboxamide N-methyl-N-[(4-nitrophenyl)methy…

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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	5.53	-10.3	0	7	0	92	278.293	4	↓ MOL2 SDF SMILES Flexibase

37716668

Analogs

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Popular Name: 3-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoic 3-[(1,2,5-thiadiazole-3-carbonyl…

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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	2.93	-50.35	1	6	-1	95	262.27	4	↓ MOL2 SDF SMILES Flexibase

49524830

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)	2.22	4.08	-8.08	1	6	0	81	356.201	5	↓ MOL2 SDF SMILES Flexibase

49524831

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)	2.22	4.08	-8.09	1	6	0	81	356.201	5	↓ MOL2 SDF SMILES Flexibase

37918730

Analogs

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Popular Name: 4-[[methyl(1,2,5-thiadiazole-3-carbonyl)amino]methyl]benzoic 4-[[methyl(1,2,5-thiadiazole-3-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)	1.52	5.39	-52.78	0	6	-1	86	276.297	4	↓ 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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