ZINC 12

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ZINC Item

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49510162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1S)-1-(4-fluorophenyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1S)-1-(4-fluorophen…

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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	-12.48	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49510164

Analogs

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Popular Name: 5-fluoro-1-[(1R)-1-(4-fluorophenyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1R)-1-(4-fluorophen…

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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	10.09	-12.43	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49510166

Analogs

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Popular Name: 1-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-benzimidazole-2-thiol 1-[(1S)-1-(4-fluorophenyl)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)	4.03	10.71	-12.61	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49510168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(4-fluorophenyl)ethyl]-5-methyl-benzimidazole-2-thiol 1-[(1R)-1-(4-fluorophenyl)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)	4.03	10.69	-12.59	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49510170

Analogs

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Popular Name: 4-fluoro-1-[(1S)-1-(4-fluorophenyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1S)-1-(4-fluorophen…

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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	10.12	-14.25	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49510172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(1R)-1-(4-fluorophenyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1R)-1-(4-fluorophen…

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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	10.09	-14.29	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49526454

Analogs

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Popular Name: 1-[(1S)-1-(3-chlorophenyl)ethyl]benzimidazole-2-thiol 1-[(1S)-1-(3-chlorophenyl)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)	4.09	10.49	-13.17	1	2	0	21	288.803	2	↓ MOL2 SDF SMILES Flexibase

49526455

Analogs

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Popular Name: 1-[(1R)-1-(3-chlorophenyl)ethyl]benzimidazole-2-thiol 1-[(1R)-1-(3-chlorophenyl)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)	4.09	10.47	-13.24	1	2	0	21	288.803	2	↓ MOL2 SDF SMILES Flexibase

49526458

Analogs

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Popular Name: 5-fluoro-1-[(1R)-1-(o-tolyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1R)-1-(o-tolyl)ethy…

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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)	3.98	10.24	-11	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49526459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1S)-1-(o-tolyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1S)-1-(o-tolyl)ethy…

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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)	3.98	10.15	-10.93	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49526460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(1R)-1-(o-tolyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1R)-1-(o-tolyl)ethy…

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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)	3.96	10.24	-12.95	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49526461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(1S)-1-(o-tolyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1S)-1-(o-tolyl)ethy…

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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)	3.96	10.15	-12.9	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49531507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1S)-1-(2-fluorophenyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1S)-1-(2-fluorophen…

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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)	3.70	9.76	-9.02	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49531508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1R)-1-(2-fluorophenyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1R)-1-(2-fluorophen…

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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)	3.70	9.76	-8.99	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49531509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methyl-benzimidazole-2-thiol 1-[(1S)-1-(2-fluorophenyl)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)	3.98	10.37	-9.83	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49531510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(2-fluorophenyl)ethyl]-5-methyl-benzimidazole-2-thiol 1-[(1R)-1-(2-fluorophenyl)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)	3.98	10.37	-9.84	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49531511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(1S)-1-(2-fluorophenyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1S)-1-(2-fluorophen…

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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)	3.67	9.76	-10.67	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49531512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-1-[(1R)-1-(2-fluorophenyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1R)-1-(2-fluorophen…

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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)	3.67	9.76	-10.64	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49531513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(3-fluorophenyl)ethyl]benzimidazole-2-thiol 1-[(1S)-1-(3-fluorophenyl)ethyl]…

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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)	3.58	10.04	-13.96	1	2	0	21	272.348	2	↓ MOL2 SDF SMILES Flexibase

49531514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(3-fluorophenyl)ethyl]benzimidazole-2-thiol 1-[(1R)-1-(3-fluorophenyl)ethyl]…

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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)	3.58	10.02	-14.04	1	2	0	21	272.348	2	↓ MOL2 SDF SMILES Flexibase

49531515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1S)-1-(3-fluorophenyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1S)-1-(3-fluorophen…

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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)	3.72	10.11	-13.06	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49531516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1R)-1-(3-fluorophenyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1R)-1-(3-fluorophen…

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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)	3.72	10.09	-13.12	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49531517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(3-fluorophenyl)ethyl]-5-methyl-benzimidazole-2-thiol 1-[(1S)-1-(3-fluorophenyl)ethyl]…

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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)	4.01	10.71	-13.38	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49531518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(3-fluorophenyl)ethyl]-5-methyl-benzimidazole-2-thiol 1-[(1R)-1-(3-fluorophenyl)ethyl]…

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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)	4.01	10.69	-13.44	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49531519

Analogs

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Popular Name: 4-fluoro-1-[(1S)-1-(3-fluorophenyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1S)-1-(3-fluorophen…

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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)	3.70	10.12	-14.91	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49531520

Analogs

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Popular Name: 4-fluoro-1-[(1R)-1-(3-fluorophenyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1R)-1-(3-fluorophen…

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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)	3.70	10.09	-14.95	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49559042

Analogs

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Popular Name: 5-fluoro-1-[(1R)-1-(p-tolyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1R)-1-(p-tolyl)ethy…

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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)	4.03	10.75	-11.77	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49559043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-1-[(1S)-1-(p-tolyl)ethyl]benzimidazole-2-thiol 5-fluoro-1-[(1S)-1-(p-tolyl)ethy…

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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)	4.03	10.7	-11.75	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49559044

Analogs

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Popular Name: 4-fluoro-1-[(1R)-1-(p-tolyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1R)-1-(p-tolyl)ethy…

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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)	4.01	10.75	-13.66	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49559045

Analogs

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Popular Name: 4-fluoro-1-[(1S)-1-(p-tolyl)ethyl]benzimidazole-2-thiol 4-fluoro-1-[(1S)-1-(p-tolyl)ethy…

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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)	4.01	10.7	-13.64	1	2	0	21	286.375	2	↓ MOL2 SDF SMILES Flexibase

49577980

Analogs

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Popular Name: 1-[(3,4-difluorophenyl)methyl]benzimidazole-2-thiol 1-[(3,4-difluorophenyl)methyl]be…

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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)	3.33	9.74	-17.7	1	2	0	21	276.311	2	↓ MOL2 SDF SMILES Flexibase

49577981

Analogs

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Popular Name: 7-chloro-1-[(3,4-difluorophenyl)methyl]benzimidazole-2-thiol 7-chloro-1-[(3,4-difluorophenyl)…

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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)	3.96	9.87	-13.67	1	2	0	21	310.756	2	↓ MOL2 SDF SMILES Flexibase

49577982

Analogs

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Popular Name: 1-[(3,4-difluorophenyl)methyl]-5-fluoro-benzimidazole-2-thiol 1-[(3,4-difluorophenyl)methyl]-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)	3.47	9.81	-17.77	1	2	0	21	294.301	2	↓ MOL2 SDF SMILES Flexibase

49577983

Analogs

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Popular Name: 5-chloro-1-[(3,4-difluorophenyl)methyl]benzimidazole-2-thiol 5-chloro-1-[(3,4-difluorophenyl)…

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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)	3.99	10.26	-17.12	1	2	0	21	310.756	2	↓ MOL2 SDF SMILES Flexibase

49577984

Analogs

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Popular Name: 1-[(3,4-difluorophenyl)methyl]-5-methyl-benzimidazole-2-thiol 1-[(3,4-difluorophenyl)methyl]-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)	3.76	10.42	-17.06	1	2	0	21	290.338	2	↓ MOL2 SDF SMILES Flexibase

49577985

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Popular Name: 1-[(3,4-difluorophenyl)methyl]-4-fluoro-benzimidazole-2-thiol 1-[(3,4-difluorophenyl)methyl]-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)	3.45	9.81	-19.96	1	2	0	21	294.301	2	↓ MOL2 SDF SMILES Flexibase

42435404

Analogs

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Popular Name: 1-[(3-bromophenyl)methyl]benzimidazole-2-thiol 1-[(3-bromophenyl)methyl]benzimi…

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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)	3.86	10.23	-14.97	1	2	0	21	319.227	2	↓ MOL2 SDF SMILES Flexibase

42435588

Analogs

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Popular Name: 1-[(2-bromophenyl)methyl]benzimidazole-2-thiol 1-[(2-bromophenyl)methyl]benzimi…

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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)	3.84	9.66	-10.02	1	2	0	21	319.227	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 264752
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 = 264752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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": "264752"        

    });
</script>

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