ZINC 12

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ZINC Item

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69235126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1,4-dimethylpentyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1,4-dimethylpentyl]…

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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)	4.23	10	-26.69	2	2	1	26	277.457	6	↓ MOL2 SDF SMILES Flexibase

69235127

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1,4-dimethylpentyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1,4-dimethylpentyl]…

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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)	4.23	10	-26.74	2	2	1	26	277.457	6	↓ MOL2 SDF SMILES Flexibase

69235128

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1,4-dimethylpentyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1,4-dimethylpentyl]…

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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)	4.23	10.01	-26.66	2	2	1	26	277.457	6	↓ MOL2 SDF SMILES Flexibase

69235129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1,4-dimethylpentyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1,4-dimethylpentyl]…

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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)	4.23	10.01	-26.68	2	2	1	26	277.457	6	↓ MOL2 SDF SMILES Flexibase

63001057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1,2-dimethylpropyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1,2-dimethylpropyl]…

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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)	3.43	8.47	-25.91	2	2	1	26	249.403	4	↓ MOL2 SDF SMILES Flexibase

63001058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1,2-dimethylpropyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1,2-dimethylpropyl]…

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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)	3.43	8.26	-25.83	2	2	1	26	249.403	4	↓ MOL2 SDF SMILES Flexibase

63001059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1,2-dimethylpropyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1,2-dimethylpropyl]…

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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)	3.43	8.48	-25.92	2	2	1	26	249.403	4	↓ MOL2 SDF SMILES Flexibase

63001060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1,2-dimethylpropyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1,2-dimethylpropyl]…

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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)	3.43	8.27	-25.74	2	2	1	26	249.403	4	↓ MOL2 SDF SMILES Flexibase

63001089

Analogs

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Popular Name: (4R)-4-phenyl-N-propyl-4,5-dihydrothiazol-2-amine (4R)-4-phenyl-N-propyl-4,5-dihyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	7.1	-26.4	2	2	1	26	221.349	4	↓ MOL2 SDF SMILES Flexibase

63001090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-phenyl-N-propyl-4,5-dihydrothiazol-2-amine (4S)-4-phenyl-N-propyl-4,5-dihyd…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	7.1	-26.37	2	2	1	26	221.349	4	↓ MOL2 SDF SMILES Flexibase

63001093

Analogs

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Popular Name: (4R)-N-(1,1-dimethylpropyl)-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-(1,1-dimethylpropyl)-4-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)	3.66	7.52	-25.36	2	2	1	26	249.403	4	↓ MOL2 SDF SMILES Flexibase

63001094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-(1,1-dimethylpropyl)-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-(1,1-dimethylpropyl)-4-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)	3.66	7.52	-25.28	2	2	1	26	249.403	4	↓ MOL2 SDF SMILES Flexibase

63001101

Analogs

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Popular Name: (4R)-N-tert-butyl-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-tert-butyl-4-phenyl-4,5-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)	3.16	7.01	-25.22	2	2	1	26	235.376	3	↓ MOL2 SDF SMILES Flexibase

63001102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-tert-butyl-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-tert-butyl-4-phenyl-4,5-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)	3.16	7.01	-25.14	2	2	1	26	235.376	3	↓ MOL2 SDF SMILES Flexibase

63001105

Analogs

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Popular Name: (4R)-N-isopropyl-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-isopropyl-4-phenyl-4,5-di…

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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)	2.65	7.07	-25.69	2	2	1	26	221.349	3	↓ MOL2 SDF SMILES Flexibase

63001106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-isopropyl-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-isopropyl-4-phenyl-4,5-di…

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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)	2.65	7.08	-25.66	2	2	1	26	221.349	3	↓ MOL2 SDF SMILES Flexibase

63001111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-(2-methoxyethyl)-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-(2-methoxyethyl)-4-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)	1.96	5.41	-26.78	2	3	1	35	237.348	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	4.47	-5.97	1	3	0	34	236.34	5	↓ MOL2 SDF SMILES Flexibase

63001112

Analogs

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Popular Name: (4S)-N-(2-methoxyethyl)-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-(2-methoxyethyl)-4-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)	1.96	5.41	-26.7	2	3	1	35	237.348	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	4.46	-5.93	1	3	0	34	236.34	5	↓ MOL2 SDF SMILES Flexibase

63001113

Analogs

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Popular Name: (4R)-N-[(1R)-1-methylpropyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-methylpropyl]-4-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)	3.19	7.94	-25.83	2	2	1	26	235.376	4	↓ MOL2 SDF SMILES Flexibase

63001114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-methylpropyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-methylpropyl]-4-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)	3.19	7.94	-25.84	2	2	1	26	235.376	4	↓ MOL2 SDF SMILES Flexibase

63001115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-methylpropyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-methylpropyl]-4-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)	3.19	7.95	-25.8	2	2	1	26	235.376	4	↓ MOL2 SDF SMILES Flexibase

63001116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-methylpropyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-methylpropyl]-4-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)	3.19	7.95	-25.78	2	2	1	26	235.376	4	↓ MOL2 SDF SMILES Flexibase

63001121

Analogs

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Popular Name: (4R)-N-isobutyl-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-isobutyl-4-phenyl-4,5-dih…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	7.82	-26.46	2	2	1	26	235.376	4	↓ MOL2 SDF SMILES Flexibase

63001122

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-isobutyl-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-isobutyl-4-phenyl-4,5-dih…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	7.82	-26.37	2	2	1	26	235.376	4	↓ MOL2 SDF SMILES Flexibase

63001127

Analogs

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Popular Name: (4R)-N-(1-ethylpropyl)-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-(1-ethylpropyl)-4-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)	3.72	8.05	-25.69	2	2	1	26	249.403	5	↓ MOL2 SDF SMILES Flexibase

63001128

Analogs

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Popular Name: (4S)-N-(1-ethylpropyl)-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-(1-ethylpropyl)-4-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)	3.72	8.05	-25.75	2	2	1	26	249.403	5	↓ MOL2 SDF SMILES Flexibase

63001131

Analogs

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Popular Name: (4R)-N-methyl-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-methyl-4-phenyl-4,5-dihyd…

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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)	1.98	5.52	-26.83	2	2	1	26	193.295	2	↓ MOL2 SDF SMILES Flexibase

63001132

Analogs

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Popular Name: (4S)-N-methyl-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-methyl-4-phenyl-4,5-dihyd…

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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)	1.98	5.52	-26.81	2	2	1	26	193.295	2	↓ MOL2 SDF SMILES Flexibase

63001133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-N'-[(4R)-4-phenyl-4,5-dihydrothiazol-2-yl]ethane-1,2-diamine N,N-dimethyl-N'-[(4R)-4-phenyl-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	7.63	-89.98	3	3	2	30	251.399	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.01	5.15	-27.45	2	3	1	29	250.391	5	↓ MOL2 SDF SMILES Flexibase

63001134

Analogs

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Popular Name: N,N-dimethyl-N'-[(4S)-4-phenyl-4,5-dihydrothiazol-2-yl]ethane-1,2-diamine N,N-dimethyl-N'-[(4S)-4-phenyl-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.01	7.63	-90	3	3	2	30	251.399	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.01	5.15	-27.42	2	3	1	29	250.391	5	↓ MOL2 SDF SMILES Flexibase

63001135

Analogs

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Popular Name: (4R)-N-ethyl-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-ethyl-4-phenyl-4,5-dihydr…

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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	6.34	-26.13	2	2	1	26	207.322	3	↓ MOL2 SDF SMILES Flexibase

63001136

Analogs

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Popular Name: (4S)-N-ethyl-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-ethyl-4-phenyl-4,5-dihydr…

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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	6.34	-26.2	2	2	1	26	207.322	3	↓ MOL2 SDF SMILES Flexibase

63001137

Analogs

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Popular Name: 2-[[(4R)-4-phenyl-4,5-dihydrothiazol-2-yl]amino]acetamide 2-[[(4R)-4-phenyl-4,5-dihydrothi…

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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)	0.71	2.5	-32.46	4	4	1	69	236.32	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.71	1.54	-10.22	3	4	0	67	235.312	4	↓ MOL2 SDF SMILES Flexibase

63001138

Analogs

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Popular Name: 2-[[(4S)-4-phenyl-4,5-dihydrothiazol-2-yl]amino]acetamide 2-[[(4S)-4-phenyl-4,5-dihydrothi…

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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)	0.71	2.5	-32.44	4	4	1	69	236.32	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.71	1.54	-10.22	3	4	0	67	235.312	4	↓ MOL2 SDF SMILES Flexibase

63001143

Analogs

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Popular Name: N,N-diethyl-N'-[(4R)-4-phenyl-4,5-dihydrothiazol-2-yl]ethane-1,2-diamine N,N-diethyl-N'-[(4R)-4-phenyl-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.99	-89.58	3	3	2	30	279.453	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.76	6.84	-27.3	2	3	1	29	278.445	7	↓ MOL2 SDF SMILES Flexibase

63001144

Analogs

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Popular Name: N,N-diethyl-N'-[(4S)-4-phenyl-4,5-dihydrothiazol-2-yl]ethane-1,2-diamine N,N-diethyl-N'-[(4S)-4-phenyl-4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.99	-89.6	3	3	2	30	279.453	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.76	6.84	-27.3	2	3	1	29	278.445	7	↓ MOL2 SDF SMILES Flexibase

63001181

Analogs

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Popular Name: N,N-diisopropyl-N'-[(4R)-4-phenyl-4,5-dihydrothiazol-2-yl]ethane-1,2-diamine N,N-diisopropyl-N'-[(4R)-4-pheny…

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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)	3.35	9.58	-88.24	3	3	2	30	307.507	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.35	7.32	-28.23	2	3	1	29	306.499	7	↓ MOL2 SDF SMILES Flexibase

63001182

Analogs

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Popular Name: N,N-diisopropyl-N'-[(4S)-4-phenyl-4,5-dihydrothiazol-2-yl]ethane-1,2-diamine N,N-diisopropyl-N'-[(4S)-4-pheny…

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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)	3.35	9.58	-88.24	3	3	2	30	307.507	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.35	7.33	-28.25	2	3	1	29	306.499	7	↓ MOL2 SDF SMILES Flexibase

63001203

Analogs

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Popular Name: (4R)-N-[(1R)-1-methylbutyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-methylbutyl]-4-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)	3.75	8.71	-26.22	2	2	1	26	249.403	5	↓ MOL2 SDF SMILES Flexibase

63001204

Analogs

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Popular Name: (4R)-N-[(1S)-1-methylbutyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-1-methylbutyl]-4-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)	3.75	8.71	-26.23	2	2	1	26	249.403	5	↓ MOL2 SDF SMILES Flexibase

63001205

Analogs

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Popular Name: (4S)-N-[(1R)-1-methylbutyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-1-methylbutyl]-4-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)	3.75	8.73	-26.21	2	2	1	26	249.403	5	↓ MOL2 SDF SMILES Flexibase

63001206

Analogs

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Popular Name: (4S)-N-[(1S)-1-methylbutyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-methylbutyl]-4-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)	3.75	8.73	-26.18	2	2	1	26	249.403	5	↓ MOL2 SDF SMILES Flexibase

63001239

Analogs

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Popular Name: (4R)-N-[(1S)-2-methoxy-1-methyl-ethyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S)-2-methoxy-1-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)	2.29	6.26	-26.02	2	3	1	35	251.375	5	↓ MOL2 SDF SMILES Flexibase

63001240

Analogs

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Popular Name: (4R)-N-[(1R)-2-methoxy-1-methyl-ethyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-2-methoxy-1-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)	2.29	6.26	-26.04	2	3	1	35	251.375	5	↓ MOL2 SDF SMILES Flexibase

63001241

Analogs

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Popular Name: (4S)-N-[(1S)-2-methoxy-1-methyl-ethyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-2-methoxy-1-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)	2.29	6.28	-26.06	2	3	1	35	251.375	5	↓ MOL2 SDF SMILES Flexibase

63001242

Analogs

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Popular Name: (4S)-N-[(1R)-2-methoxy-1-methyl-ethyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1R)-2-methoxy-1-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)	2.29	6.28	-25.98	2	3	1	35	251.375	5	↓ MOL2 SDF SMILES Flexibase

63001249

Analogs

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Popular Name: N,N,2,2-tetramethyl-N'-[(4R)-4-phenyl-4,5-dihydrothiazol-2-yl]propane-1,3-diamine N,N,2,2-tetramethyl-N'-[(4R)-4-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)	3.17	9.75	-81.85	3	3	2	30	293.48	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.17	8.84	-38.56	2	3	1	29	292.472	6	↓ MOL2 SDF SMILES Flexibase

63001250

Analogs

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Popular Name: N,N,2,2-tetramethyl-N'-[(4S)-4-phenyl-4,5-dihydrothiazol-2-yl]propane-1,3-diamine N,N,2,2-tetramethyl-N'-[(4S)-4-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)	3.17	9.75	-81.81	3	3	2	30	293.48	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.17	8.83	-38.61	2	3	1	29	292.472	6	↓ MOL2 SDF SMILES Flexibase

63001255

Analogs

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Popular Name: (4R)-N-butyl-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-butyl-4-phenyl-4,5-dihydr…

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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)	3.42	7.87	-26.73	2	2	1	26	235.376	5	↓ MOL2 SDF SMILES Flexibase

63001256

Analogs

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Popular Name: (4S)-N-butyl-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-butyl-4-phenyl-4,5-dihydr…

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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)	3.42	7.88	-26.76	2	2	1	26	235.376	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
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