ZINC 12

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)	1.78	7.8	-85.59	2	3	2	22	308.289	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.78	5.16	-29.98	1	3	1	20	307.281	3	↓ MOL2 SDF SMILES Flexibase

69758277

Analogs

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Popular Name: 1-[(5S)-5-(bromomethyl)-4,5-dihydrothiazol-2-yl]-N,N-dimethyl-piperidin-4-amine 1-[(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)	1.78	7.8	-85.75	2	3	2	22	308.289	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.78	5.16	-29.99	1	3	1	20	307.281	3	↓ MOL2 SDF SMILES Flexibase

69758292

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3R)-3-ethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3R)-3-e…

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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)	3.02	8.02	-28.48	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758293

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3S)-3-ethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3S)-3-e…

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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)	3.02	8.02	-28.48	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758294

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-[(3R)-3-ethyl-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(3R)-3-e…

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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)	3.02	8.02	-28.48	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758295

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-[(3S)-3-ethyl-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(3S)-3-e…

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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)	3.02	8.02	-28.48	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758320

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-(4-methyl-1-piperidyl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(4-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)	2.51	7.39	-28.46	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-2-(4-methyl-1-piperidyl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(4-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)	2.51	7.39	-28.43	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758325

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2R)-2-methyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2R)-2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	6.67	-28.05	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758326

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2S)-2-methyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2S)-2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	6.68	-28	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758327

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-[(2R)-2-methyl-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(2R)-2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	6.68	-28.11	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-2-[(2S)-2-methyl-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(2S)-2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	6.69	-28.08	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758337

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3R)-3-methyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3R)-3-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	7.38	-28.21	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-2-[(3S)-3-methyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3S)-3-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	7.38	-28.25	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758339

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-[(3R)-3-methyl-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(3R)-3-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	7.39	-28.3	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758340

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-[(3S)-3-methyl-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(3S)-3-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	7.39	-28.26	1	2	1	17	278.239	2	↓ MOL2 SDF SMILES Flexibase

69758366

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3S,5R)-…

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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)	2.99	7.96	-28.19	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758367

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3S,5S)-…

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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)	2.99	8.14	-28.34	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3R,5R)-…

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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)	2.99	8.14	-28.19	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758407

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2R)-2-ethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2R)-2-e…

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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)	3.14	7.27	-28.16	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758408

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2S)-2-ethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2S)-2-e…

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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)	3.14	7.3	-28.04	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758409

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-[(2R)-2-ethyl-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(2R)-2-e…

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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)	3.14	7.28	-28.09	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758411

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-[(2S)-2-ethyl-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(2S)-2-e…

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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)	3.14	7.3	-28.14	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758433

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2R,3R)-2,3-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2R,3R)-…

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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)	2.84	7.8	-27.84	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758434

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2R,3S)-2,3-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2R,3S)-…

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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)	2.84	7.17	-28.22	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758435

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2S,3R)-2,3-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2S,3R)-…

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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)	2.84	7.18	-28.2	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758436

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2S,3S)-2,3-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2S,3S)-…

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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)	2.84	7.8	-27.86	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758437

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2R,4R)-2,4-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2R,4R)-…

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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)	2.84	7.28	-28.45	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758438

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2R,4S)-2,4-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2R,4S)-…

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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)	2.84	7.94	-27.99	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758439

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2S,4R)-2,4-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2S,4R)-…

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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)	2.84	7.94	-28	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758440

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(2S,4S)-2,4-dimethyl-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(2S,4S)-…

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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)	2.84	7.28	-28.41	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758441

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-(4-propyl-1-piperidyl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(4-propyl…

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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	8.79	-28.82	1	2	1	17	306.293	4	↓ MOL2 SDF SMILES Flexibase

69758442

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-(4-propyl-1-piperidyl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(4-propyl…

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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	8.8	-28.85	1	2	1	17	306.293	4	↓ MOL2 SDF SMILES Flexibase

69758482

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[4-(methoxymethyl)-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[4-(metho…

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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)	2.12	6.49	-30.49	1	3	1	26	308.265	4	↓ MOL2 SDF SMILES Flexibase

69758483

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-[4-(methoxymethyl)-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[4-(metho…

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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)	2.12	6.49	-30.49	1	3	1	26	308.265	4	↓ MOL2 SDF SMILES Flexibase

69758516

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-(4-ethoxy-1-piperidyl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(4-ethoxy…

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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	6.75	-31	1	3	1	26	308.265	4	↓ MOL2 SDF SMILES Flexibase

69758517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-2-(4-ethoxy-1-piperidyl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(4-ethoxy…

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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	6.75	-31.01	1	3	1	26	308.265	4	↓ MOL2 SDF SMILES Flexibase

69758522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-2-(4,4-dimethyl-1-piperidyl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(4,4-dime…

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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)	2.92	7.67	-28.56	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-2-(4,4-dimethyl-1-piperidyl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(4,4-dime…

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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)	2.92	7.67	-28.58	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

69758525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-2-(4-ethyl-4-methyl-1-piperidyl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(4-ethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.26	8.15	-28.7	1	2	1	17	306.293	3	↓ MOL2 SDF SMILES Flexibase

69758526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-2-(4-ethyl-4-methyl-1-piperidyl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(4-ethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.26	8.15	-28.7	1	2	1	17	306.293	3	↓ MOL2 SDF SMILES Flexibase

69758716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-2-(4-ethyl-1-piperidyl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(4-ethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	8.04	-28.64	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-2-(4-ethyl-1-piperidyl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(4-ethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	8.04	-28.72	1	2	1	17	292.266	3	↓ MOL2 SDF SMILES Flexibase

69758721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-2-[(3R)-3-ethoxy-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3R)-3-e…

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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)	2.11	6.74	-30.41	1	3	1	26	308.265	4	↓ MOL2 SDF SMILES Flexibase

69758722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-2-[(3S)-3-ethoxy-1-piperidyl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3S)-3-e…

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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)	2.11	6.74	-30.41	1	3	1	26	308.265	4	↓ MOL2 SDF SMILES Flexibase

69758724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-2-[(3R)-3-ethoxy-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(3R)-3-e…

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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)	2.11	6.74	-30.45	1	3	1	26	308.265	4	↓ MOL2 SDF SMILES Flexibase

69758725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-(bromomethyl)-2-[(3S)-3-ethoxy-1-piperidyl]-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-[(3S)-3-e…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	6.74	-30.41	1	3	1	26	308.265	4	↓ MOL2 SDF SMILES Flexibase

69794358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-(bromomethyl)-2-(3,3-dimethyl-1-piperidyl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(3,3-dime…

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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)	2.92	8.06	-28.44	1	2	1	17	292.266	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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