ZINC 12

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ZINC Item

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61365235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-(3-thienyl)ethyl]-4,5-…

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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)	1.94	5.13	-28.3	2	2	1	26	213.351	3	↓ MOL2 SDF SMILES Flexibase

61365236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-(3-thienyl)ethyl]-4,5-…

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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)	1.94	5.13	-28.26	2	2	1	26	213.351	3	↓ MOL2 SDF SMILES Flexibase

61365237

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1S)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1S)-1-(3-thieny…

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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)	2.81	6.66	-26.64	2	2	1	26	241.405	4	↓ MOL2 SDF SMILES Flexibase

61365239

Analogs

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Popular Name: (4S)-4-ethyl-N-[(1S)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1S)-1-(3-thieny…

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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)	2.81	6.66	-26.72	2	2	1	26	241.405	4	↓ MOL2 SDF SMILES Flexibase

61365240

Analogs

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Popular Name: (4R)-4-ethyl-N-[(1R)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[(1R)-1-(3-thieny…

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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)	2.81	6.66	-26.68	2	2	1	26	241.405	4	↓ MOL2 SDF SMILES Flexibase

61365241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-ethyl-N-[(1R)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[(1R)-1-(3-thieny…

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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)	2.81	6.66	-26.66	2	2	1	26	241.405	4	↓ MOL2 SDF SMILES Flexibase

61365243

Analogs

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Popular Name: 4,4-dimethyl-N-[(1S)-1-(3-thienyl)ethyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[(1S)-1-(3-thieny…

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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	6.5	-25.73	2	2	1	26	241.405	3	↓ MOL2 SDF SMILES Flexibase

61365245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-dimethyl-N-[(1R)-1-(3-thienyl)ethyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[(1R)-1-(3-thieny…

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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	6.5	-25.7	2	2	1	26	241.405	3	↓ MOL2 SDF SMILES Flexibase

61365246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-N-[(1S)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[(1S)-1-(3-thien…

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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	5.84	-27.38	2	2	1	26	227.378	3	↓ MOL2 SDF SMILES Flexibase

61365247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-N-[(1S)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[(1S)-1-(3-thien…

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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	5.84	-27.55	2	2	1	26	227.378	3	↓ MOL2 SDF SMILES Flexibase

61365248

Analogs

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Popular Name: (5R)-5-methyl-N-[(1R)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[(1R)-1-(3-thien…

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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	5.84	-27.48	2	2	1	26	227.378	3	↓ MOL2 SDF SMILES Flexibase

61365249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-N-[(1R)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[(1R)-1-(3-thien…

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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	5.84	-27.59	2	2	1	26	227.378	3	↓ MOL2 SDF SMILES Flexibase

61365256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-N-[(1S)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[(1S)-1-(3-thien…

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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	5.87	-27.27	2	2	1	26	227.378	3	↓ MOL2 SDF SMILES Flexibase

61365259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-N-[(1S)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[(1S)-1-(3-thien…

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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	5.86	-26.77	2	2	1	26	227.378	3	↓ MOL2 SDF SMILES Flexibase

61365261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-N-[(1R)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[(1R)-1-(3-thien…

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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	5.87	-27.12	2	2	1	26	227.378	3	↓ MOL2 SDF SMILES Flexibase

61365262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-N-[(1R)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[(1R)-1-(3-thien…

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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	5.86	-26.76	2	2	1	26	227.378	3	↓ MOL2 SDF SMILES Flexibase

61365273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-diethyl-N-[(1S)-1-(3-thienyl)ethyl]-5H-thiazol-2-amine 4,4-diethyl-N-[(1S)-1-(3-thienyl…

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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)	3.76	7.72	-25.66	2	2	1	26	269.459	5	↓ MOL2 SDF SMILES Flexibase

61365274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-diethyl-N-[(1R)-1-(3-thienyl)ethyl]-5H-thiazol-2-amine 4,4-diethyl-N-[(1R)-1-(3-thienyl…

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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)	3.76	7.72	-25.59	2	2	1	26	269.459	5	↓ MOL2 SDF SMILES Flexibase

61365278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-isobutyl-N-[(1S)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-isobutyl-N-[(1S)-1-(3-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	7.93	-27.31	2	2	1	26	269.459	5	↓ MOL2 SDF SMILES Flexibase

61365279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-isobutyl-N-[(1S)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-isobutyl-N-[(1S)-1-(3-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	7.95	-27.39	2	2	1	26	269.459	5	↓ MOL2 SDF SMILES Flexibase

61365280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-isobutyl-N-[(1R)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-isobutyl-N-[(1R)-1-(3-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	7.93	-27.39	2	2	1	26	269.459	5	↓ MOL2 SDF SMILES Flexibase

61365281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-isobutyl-N-[(1R)-1-(3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-isobutyl-N-[(1R)-1-(3-thi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.58	7.95	-27.29	2	2	1	26	269.459	5	↓ MOL2 SDF SMILES Flexibase

69758252

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-methyl-N-(3-thienylmethyl)-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-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)	2.35	7.58	-30.63	1	2	1	17	306.274	4	↓ MOL2 SDF SMILES Flexibase

69758254

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-methyl-N-(3-thienylmethyl)-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-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)	2.35	7.58	-30.8	1	2	1	17	306.274	4	↓ MOL2 SDF SMILES Flexibase

69758687

Analogs

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Popular Name: (5R)-5-(bromomethyl)-N-[(5-bromo-3-thienyl)methyl]-N-methyl-4,5-dihydrothiazol-2-amine (5R)-5-(bromomethyl)-N-[(5-bromo…

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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)	3.28	8.31	-32.25	1	2	1	17	385.17	4	↓ MOL2 SDF SMILES Flexibase

69758688

Analogs

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Popular Name: (5S)-5-(bromomethyl)-N-[(5-bromo-3-thienyl)methyl]-N-methyl-4,5-dihydrothiazol-2-amine (5S)-5-(bromomethyl)-N-[(5-bromo…

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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)	3.28	8.31	-32.36	1	2	1	17	385.17	4	↓ MOL2 SDF SMILES Flexibase

49510469

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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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)	2.38	6.69	-28.51	2	2	1	26	241.405	3	↓ MOL2 SDF SMILES Flexibase

49510471

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4,5-dihydrothiazol-2-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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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)	2.38	6.71	-28.64	2	2	1	26	241.405	3	↓ MOL2 SDF SMILES Flexibase

49510477

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-(2,5-dimethyl-3-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)	3.25	8.3	-27.12	2	2	1	26	269.459	4	↓ MOL2 SDF SMILES Flexibase

49510479

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(2,5-dimethyl-3-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)	3.25	8.3	-27.19	2	2	1	26	269.459	4	↓ MOL2 SDF SMILES Flexibase

49510481

Analogs

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Popular Name: (4R)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(2,5-dimethyl-3-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)	3.25	8.22	-26.96	2	2	1	26	269.459	4	↓ MOL2 SDF SMILES Flexibase

49510483

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-ethyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-(2,5-dimethyl-3-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)	3.25	8.22	-26.88	2	2	1	26	269.459	4	↓ MOL2 SDF SMILES Flexibase

49510485

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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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)	3.19	8.06	-25.89	2	2	1	26	269.459	3	↓ MOL2 SDF SMILES Flexibase

49510487

Analogs

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Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4,4-dimethyl-5H-thiazol-2-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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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)	3.19	8.08	-25.97	2	2	1	26	269.459	3	↓ MOL2 SDF SMILES Flexibase

49510495

Analogs

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Popular Name: (5S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-1-(2,5-dimethyl-3-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)	2.75	7.4	-27.52	2	2	1	26	255.432	3	↓ MOL2 SDF SMILES Flexibase

49510496

Analogs

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Popular Name: (5S)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-1-(2,5-dimethyl-3-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)	2.75	7.42	-27.64	2	2	1	26	255.432	3	↓ MOL2 SDF SMILES Flexibase

49510498

Analogs

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Popular Name: (5R)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-1-(2,5-dimethyl-3-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)	2.75	7.4	-27.75	2	2	1	26	255.432	3	↓ MOL2 SDF SMILES Flexibase

49510499

Analogs

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Popular Name: (5R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-5-methyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-1-(2,5-dimethyl-3-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)	2.75	7.43	-27.85	2	2	1	26	255.432	3	↓ MOL2 SDF SMILES Flexibase

49510501

Analogs

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Popular Name: (4R)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(2,5-dimethyl-3-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)	2.71	7.43	-27.3	2	2	1	26	255.432	3	↓ MOL2 SDF SMILES Flexibase

49510503

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-(2,5-dimethyl-3-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)	2.71	7.45	-27.49	2	2	1	26	255.432	3	↓ MOL2 SDF SMILES Flexibase

49510504

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-(2,5-dimethyl-3-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)	2.71	7.42	-26.98	2	2	1	26	255.432	3	↓ MOL2 SDF SMILES Flexibase

49510506

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-methyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(2,5-dimethyl-3-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)	2.71	7.44	-27.07	2	2	1	26	255.432	3	↓ MOL2 SDF SMILES Flexibase

49510508

Analogs

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Popular Name: (4R)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(2,5-dimethyl-3-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)	4.02	9.49	-27.53	2	2	1	26	297.513	5	↓ MOL2 SDF SMILES Flexibase

49510510

Analogs

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Popular Name: (4R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-(2,5-dimethyl-3-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)	4.02	9.52	-27.58	2	2	1	26	297.513	5	↓ MOL2 SDF SMILES Flexibase

49510511

Analogs

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Popular Name: (4S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-(2,5-dimethyl-3-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)	4.02	9.51	-27.47	2	2	1	26	297.513	5	↓ MOL2 SDF SMILES Flexibase

49510513

Analogs

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Popular Name: (4S)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-4-isobutyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(2,5-dimethyl-3-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)	4.02	9.54	-27.62	2	2	1	26	297.513	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 212073
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 = 212073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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