ZINC 12

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ZINC Item

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70114373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,4S)-2,4-dimethylcyclohexyl]-5-methyl-benzimidazole-2-thiol 1-[(1R,2S,4S)-2,4-dimethylcycloh…

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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)	4.06	10.03	-11.87	1	2	0	21	274.433	1	↓ MOL2 SDF SMILES Flexibase

70114374

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S,4S)-2,4-dimethylcyclohexyl]-5-methyl-benzimidazole-2-thiol 1-[(1S,2S,4S)-2,4-dimethylcycloh…

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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)	4.06	10.94	-10.41	1	2	0	21	274.433	1	↓ MOL2 SDF SMILES Flexibase

70114375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2S,4R)-2,4-dimethylcyclohexyl]-5-methyl-benzimidazole-2-thiol 1-[(1R,2S,4R)-2,4-dimethylcycloh…

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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)	4.06	10.5	-11.54	1	2	0	21	274.433	1	↓ MOL2 SDF SMILES Flexibase

70114376

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2S,4R)-2,4-dimethylcyclohexyl]-5-methyl-benzimidazole-2-thiol 1-[(1S,2S,4R)-2,4-dimethylcycloh…

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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)	4.06	10.61	-9.65	1	2	0	21	274.433	1	↓ MOL2 SDF SMILES Flexibase

70114377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 5-chloro-1-[(1S,2R,4R)-2,4-dimet…

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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)	4.29	9.87	-10.32	1	2	0	21	294.851	1	↓ MOL2 SDF SMILES Flexibase

70114378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 5-chloro-1-[(1S,2R,4S)-2,4-dimet…

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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)	4.29	10.34	-10.39	1	2	0	21	294.851	1	↓ MOL2 SDF SMILES Flexibase

70114379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 5-chloro-1-[(1R,2R,4R)-2,4-dimet…

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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)	4.29	10.78	-9.54	1	2	0	21	294.851	1	↓ MOL2 SDF SMILES Flexibase

70114380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 5-chloro-1-[(1R,2R,4S)-2,4-dimet…

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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)	4.29	10.46	-8.82	1	2	0	21	294.851	1	↓ MOL2 SDF SMILES Flexibase

70114381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6-fluoro-benzimidazole-2-thiol 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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)	3.78	9.39	-10.22	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114382

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6-fluoro-benzimidazole-2-thiol 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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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)	3.78	9.89	-10.35	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-6-fluoro-benzimidazole-2-thiol 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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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)	3.78	10.33	-9.55	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6-fluoro-benzimidazole-2-thiol 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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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)	3.78	10	-8.91	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-5-fluoro-benzimidazole-2-thiol 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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)	3.78	9.43	-10.62	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-5-fluoro-benzimidazole-2-thiol 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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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)	3.78	9.89	-10.82	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-5-fluoro-benzimidazole-2-thiol 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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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)	3.78	10.33	-10.02	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-5-fluoro-benzimidazole-2-thiol 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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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)	3.78	10.01	-9.29	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-4-fluoro-benzimidazole-2-thiol 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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	9.43	-12.77	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-4-fluoro-benzimidazole-2-thiol 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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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	9.89	-12.86	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-4-fluoro-benzimidazole-2-thiol 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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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	10.33	-11.96	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-4-fluoro-benzimidazole-2-thiol 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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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	10	-11.21	1	2	0	21	278.396	1	↓ MOL2 SDF SMILES Flexibase

70114393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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)	3.64	9.36	-12.48	1	2	0	21	260.406	1	↓ MOL2 SDF SMILES Flexibase

70114394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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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)	3.64	9.82	-12.16	1	2	0	21	260.406	1	↓ MOL2 SDF SMILES Flexibase

70114395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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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)	3.64	10.26	-11.09	1	2	0	21	260.406	1	↓ MOL2 SDF SMILES Flexibase

70114396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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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)	3.64	9.94	-10.25	1	2	0	21	260.406	1	↓ MOL2 SDF SMILES Flexibase

70114397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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	7.92	-10.15	1	3	0	30	308.422	2	↓ MOL2 SDF SMILES Flexibase

70114398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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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	9.19	-11.38	1	3	0	30	308.422	2	↓ MOL2 SDF SMILES Flexibase

70114399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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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	9.62	-10.51	1	3	0	30	308.422	2	↓ MOL2 SDF SMILES Flexibase

70114400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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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	9.3	-9.92	1	3	0	30	308.422	2	↓ MOL2 SDF SMILES Flexibase

70114401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-6,7-difluoro-benzimidazole-2-thiol 1-[(1S,2R,4R)-2,4-dimethylcycloh…

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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)	3.87	8.65	-6.42	1	2	0	21	296.386	1	↓ MOL2 SDF SMILES Flexibase

70114402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-6,7-difluoro-benzimidazole-2-thiol 1-[(1S,2R,4S)-2,4-dimethylcycloh…

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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)	3.87	9.69	-10.21	1	2	0	21	296.386	1	↓ MOL2 SDF SMILES Flexibase

70114403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-6,7-difluoro-benzimidazole-2-thiol 1-[(1R,2R,4R)-2,4-dimethylcycloh…

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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)	3.87	10.32	-10.48	1	2	0	21	296.386	1	↓ MOL2 SDF SMILES Flexibase

70114404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-6,7-difluoro-benzimidazole-2-thiol 1-[(1R,2R,4S)-2,4-dimethylcycloh…

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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)	3.87	10	-10.02	1	2	0	21	296.386	1	↓ MOL2 SDF SMILES Flexibase

70114405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 7-chloro-1-[(1S,2R,4R)-2,4-dimet…

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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)	4.27	8.93	-5.93	1	2	0	21	294.851	1	↓ MOL2 SDF SMILES Flexibase

70114406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1S,2R,4S)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 7-chloro-1-[(1S,2R,4S)-2,4-dimet…

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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)	4.27	9.93	-10.14	1	2	0	21	294.851	1	↓ MOL2 SDF SMILES Flexibase

70114407

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Popular Name: 7-chloro-1-[(1R,2R,4R)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 7-chloro-1-[(1R,2R,4R)-2,4-dimet…

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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)	4.27	10.6	-10.59	1	2	0	21	294.851	1	↓ MOL2 SDF SMILES Flexibase

70114408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]benzimidazole-2-thiol 7-chloro-1-[(1R,2R,4S)-2,4-dimet…

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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)	4.27	10.27	-9.94	1	2	0	21	294.851	1	↓ 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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<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "524822"        

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