ZINC 12

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ZINC Item

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69758308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,2-dimethyl-morpholine 4-[(5R)-5-(bromomethyl)-4,5-dihy…

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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	5.87	-30.78	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,2-dimethyl-morpholine 4-[(5S)-5-(bromomethyl)-4,5-dihy…

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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	5.87	-30.8	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3-ethyl-morpholine (3R)-4-[(5R)-5-(bromomethyl)-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)	2.08	4.94	-30.32	1	3	1	26	294.238	3	↓ MOL2 SDF SMILES Flexibase

69758313

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3-ethyl-morpholine (3S)-4-[(5R)-5-(bromomethyl)-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)	2.08	4.83	-28.97	1	3	1	26	294.238	3	↓ MOL2 SDF SMILES Flexibase

69758314

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3-ethyl-morpholine (3R)-4-[(5S)-5-(bromomethyl)-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)	2.08	4.95	-30.24	1	3	1	26	294.238	3	↓ MOL2 SDF SMILES Flexibase

69758315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3-ethyl-morpholine (3S)-4-[(5S)-5-(bromomethyl)-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)	2.08	4.92	-29.07	1	3	1	26	294.238	3	↓ MOL2 SDF SMILES Flexibase

69758333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,6-dimethyl-morpholine (2S,6R)-4-[(5R)-5-(bromomethyl)-…

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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	5.87	-30.81	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,6-dimethyl-morpholine (2S,6S)-4-[(5R)-5-(bromomethyl)-…

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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	5.99	-30.68	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,6-dimethyl-morpholine (2R,6R)-4-[(5R)-5-(bromomethyl)-…

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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	5.99	-30.83	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2-methyl-morpholine (2R)-4-[(5R)-5-(bromomethyl)-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)	1.57	5.12	-30.75	1	3	1	26	280.211	2	↓ MOL2 SDF SMILES Flexibase

69758344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2-methyl-morpholine (2S)-4-[(5R)-5-(bromomethyl)-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)	1.57	5.12	-30.76	1	3	1	26	280.211	2	↓ MOL2 SDF SMILES Flexibase

69758345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2-methyl-morpholine (2R)-4-[(5S)-5-(bromomethyl)-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)	1.57	5.12	-30.75	1	3	1	26	280.211	2	↓ MOL2 SDF SMILES Flexibase

69758346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2-methyl-morpholine (2S)-4-[(5S)-5-(bromomethyl)-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)	1.57	5.12	-30.82	1	3	1	26	280.211	2	↓ MOL2 SDF SMILES Flexibase

69758373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3-methyl-morpholine (3R)-4-[(5R)-5-(bromomethyl)-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)	1.54	4.34	-30.31	1	3	1	26	280.211	2	↓ MOL2 SDF SMILES Flexibase

69758374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3-methyl-morpholine (3S)-4-[(5R)-5-(bromomethyl)-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)	1.54	4.35	-30.26	1	3	1	26	280.211	2	↓ MOL2 SDF SMILES Flexibase

69758376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3-methyl-morpholine (3R)-4-[(5S)-5-(bromomethyl)-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)	1.54	4.35	-30.26	1	3	1	26	280.211	2	↓ MOL2 SDF SMILES Flexibase

69758377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3-methyl-morpholine (3S)-4-[(5S)-5-(bromomethyl)-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)	1.54	4.35	-30.32	1	3	1	26	280.211	2	↓ MOL2 SDF SMILES Flexibase

69758378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,5-dimethyl-morpholine (2R,5R)-4-[(5R)-5-(bromomethyl)-…

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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)	1.90	5.85	-30.13	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,5-dimethyl-morpholine (2S,5R)-4-[(5R)-5-(bromomethyl)-…

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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)	1.90	5.08	-30.36	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,5S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,5-dimethyl-morpholine (2R,5S)-4-[(5R)-5-(bromomethyl)-…

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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)	1.90	5.09	-30.29	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,5S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,5-dimethyl-morpholine (2S,5S)-4-[(5R)-5-(bromomethyl)-…

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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)	1.90	5.86	-30.2	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2-ethyl-morpholine (2R)-4-[(5R)-5-(bromomethyl)-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)	2.08	5.95	-30.87	1	3	1	26	294.238	3	↓ MOL2 SDF SMILES Flexibase

69758385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2-ethyl-morpholine (2S)-4-[(5R)-5-(bromomethyl)-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)	2.08	5.95	-30.83	1	3	1	26	294.238	3	↓ MOL2 SDF SMILES Flexibase

69758387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2-ethyl-morpholine (2R)-4-[(5S)-5-(bromomethyl)-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)	2.08	5.95	-30.9	1	3	1	26	294.238	3	↓ MOL2 SDF SMILES Flexibase

69758388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2-ethyl-morpholine (2S)-4-[(5S)-5-(bromomethyl)-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)	2.08	5.95	-30.9	1	3	1	26	294.238	3	↓ MOL2 SDF SMILES Flexibase

69758656

Analogs

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Popular Name: (6R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,2,6-trimethyl-morpholine (6R)-4-[(5R)-5-(bromomethyl)-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)	2.38	6.6	-30.79	1	3	1	26	308.265	2	↓ MOL2 SDF SMILES Flexibase

69758657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,2,6-trimethyl-morpholine (6S)-4-[(5R)-5-(bromomethyl)-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)	2.38	6.6	-30.81	1	3	1	26	308.265	2	↓ MOL2 SDF SMILES Flexibase

69758659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,2,6-trimethyl-morpholine (6R)-4-[(5S)-5-(bromomethyl)-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)	2.38	6.6	-30.81	1	3	1	26	308.265	2	↓ MOL2 SDF SMILES Flexibase

69758660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-2,2,6-trimethyl-morpholine (6S)-4-[(5S)-5-(bromomethyl)-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)	2.38	6.6	-30.8	1	3	1	26	308.265	2	↓ MOL2 SDF SMILES Flexibase

69758672

Analogs

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Popular Name: 4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3,3-dimethyl-morpholine 4-[(5R)-5-(bromomethyl)-4,5-dihy…

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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	4.97	-29.75	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758673

Analogs

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Popular Name: 4-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-3,3-dimethyl-morpholine 4-[(5S)-5-(bromomethyl)-4,5-dihy…

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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	4.98	-29.83	1	3	1	26	294.238	2	↓ MOL2 SDF SMILES Flexibase

69758696

Analogs

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Popular Name: (2R,5R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-5-ethyl-2-methyl-morpholine (2R,5R)-4-[(5R)-5-(bromomethyl)-…

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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)	2.44	6.74	-30.06	1	3	1	26	308.265	3	↓ MOL2 SDF SMILES Flexibase

69758697

Analogs

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Popular Name: (2R,5S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-5-ethyl-2-methyl-morpholine (2R,5S)-4-[(5R)-5-(bromomethyl)-…

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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)	2.44	5.57	-28.98	1	3	1	26	308.265	3	↓ MOL2 SDF SMILES Flexibase

69758698

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Popular Name: (2S,5R)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-5-ethyl-2-methyl-morpholine (2S,5R)-4-[(5R)-5-(bromomethyl)-…

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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)	2.44	5.68	-30.38	1	3	1	26	308.265	3	↓ MOL2 SDF SMILES Flexibase

69758699

Analogs

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Popular Name: (2S,5S)-4-[(5R)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-5-ethyl-2-methyl-morpholine (2S,5S)-4-[(5R)-5-(bromomethyl)-…

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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)	2.44	6.74	-30.06	1	3	1	26	308.265	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 444274
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 = 444274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=444274&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": "444274"        

    });
</script>

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