ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

69667826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzimidazole-2-thiol 1-[(1S)-2-cyclopropyl-1-methyl-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)	2.99	9.39	-10.85	1	2	0	21	232.352	3	↓ MOL2 SDF SMILES Flexibase

69667833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzimidazole-2-thiol 1-[(1R)-2-cyclopropyl-1-methyl-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)	2.99	9.3	-10.94	1	2	0	21	232.352	3	↓ MOL2 SDF SMILES Flexibase

70103482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-5-methyl-benzimidazole-2-thiol 1-[(1S)-2-cyclopropyl-1-methyl-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)	3.41	10.07	-10.21	1	2	0	21	246.379	3	↓ MOL2 SDF SMILES Flexibase

70103483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-5-methyl-benzimidazole-2-thiol 1-[(1R)-2-cyclopropyl-1-methyl-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)	3.41	9.97	-10.34	1	2	0	21	246.379	3	↓ MOL2 SDF SMILES Flexibase

70103484

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.77	9.92	-9.4	1	2	0	21	311.248	3	↓ MOL2 SDF SMILES Flexibase

70103485

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.77	10.02	-9.16	1	2	0	21	311.248	3	↓ MOL2 SDF SMILES Flexibase

70103486

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	-9.63	1	2	0	21	266.797	3	↓ MOL2 SDF SMILES Flexibase

70103487

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.91	-9.37	1	2	0	21	266.797	3	↓ MOL2 SDF SMILES Flexibase

70103488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-fluoro-benzimidazole-2-thiol 1-[(1S)-2-cyclopropyl-1-methyl-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)	3.13	9.36	-9.52	1	2	0	21	250.342	3	↓ MOL2 SDF SMILES Flexibase

70103489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6-fluoro-benzimidazole-2-thiol 1-[(1R)-2-cyclopropyl-1-methyl-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)	3.13	9.46	-9.53	1	2	0	21	250.342	3	↓ MOL2 SDF SMILES Flexibase

70103490

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-5-fluoro-benzimidazole-2-thiol 1-[(1S)-2-cyclopropyl-1-methyl-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)	3.13	9.35	-10.16	1	2	0	21	250.342	3	↓ MOL2 SDF SMILES Flexibase

70103491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-5-fluoro-benzimidazole-2-thiol 1-[(1R)-2-cyclopropyl-1-methyl-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)	3.13	9.46	-9.86	1	2	0	21	250.342	3	↓ MOL2 SDF SMILES Flexibase

70103492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4-fluoro-benzimidazole-2-thiol 1-[(1S)-2-cyclopropyl-1-methyl-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)	3.10	9.36	-12.06	1	2	0	21	250.342	3	↓ MOL2 SDF SMILES Flexibase

70103493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4-fluoro-benzimidazole-2-thiol 1-[(1R)-2-cyclopropyl-1-methyl-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)	3.10	9.46	-11.7	1	2	0	21	250.342	3	↓ MOL2 SDF SMILES Flexibase

70103494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(1S)-2-cyclopropyl-1-methyl-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)	3.11	8.65	-10.67	1	3	0	30	280.368	4	↓ MOL2 SDF SMILES Flexibase

70103495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(1R)-2-cyclopropyl-1-methyl-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)	3.11	8.76	-10.4	1	3	0	30	280.368	4	↓ MOL2 SDF SMILES Flexibase

70103496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6,7-difluoro-benzimidazole-2-thiol 1-[(1S)-2-cyclopropyl-1-methyl-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)	3.22	9.34	-10.35	1	2	0	21	268.332	3	↓ MOL2 SDF SMILES Flexibase

70103497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6,7-difluoro-benzimidazole-2-thiol 1-[(1R)-2-cyclopropyl-1-methyl-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)	3.22	9.34	-10.34	1	2	0	21	268.332	3	↓ MOL2 SDF SMILES Flexibase

70103498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1S)-2-cyclopropyl-1-methyl-ethyl]benzimidazole-2-thiol 7-chloro-1-[(1S)-2-cyclopropyl-1…

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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)	3.62	9.63	-10.28	1	2	0	21	266.797	3	↓ MOL2 SDF SMILES Flexibase

70103499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1R)-2-cyclopropyl-1-methyl-ethyl]benzimidazole-2-thiol 7-chloro-1-[(1R)-2-cyclopropyl-1…

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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)	3.62	9.63	-10.27	1	2	0	21	266.797	3	↓ MOL2 SDF SMILES Flexibase

70103500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-5-methyl-benzimidazole-2-thiol 1-[(1S)-1-(cyclopropylmethyl)pro…

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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)	3.91	10.91	-10.19	1	2	0	21	260.406	4	↓ MOL2 SDF SMILES Flexibase

70103501

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-5-methyl-benzimidazole-2-thiol 1-[(1R)-1-(cyclopropylmethyl)pro…

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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)	3.91	11	-10.06	1	2	0	21	260.406	4	↓ MOL2 SDF SMILES Flexibase

70103502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1S)-1-(cyclopropylmethyl)propyl]benzimidazole-2-thiol 5-chloro-1-[(1S)-1-(cyclopropylm…

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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)	4.14	10.75	-9.54	1	2	0	21	280.824	4	↓ MOL2 SDF SMILES Flexibase

70103503

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-1-[(1R)-1-(cyclopropylmethyl)propyl]benzimidazole-2-thiol 5-chloro-1-[(1R)-1-(cyclopropylm…

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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)	4.14	10.85	-9.31	1	2	0	21	280.824	4	↓ MOL2 SDF SMILES Flexibase

70103504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-6-fluoro-benzimidazole-2-thiol 1-[(1S)-1-(cyclopropylmethyl)pro…

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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)	3.63	10.3	-9.3	1	2	0	21	264.369	4	↓ MOL2 SDF SMILES Flexibase

70103505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-6-fluoro-benzimidazole-2-thiol 1-[(1R)-1-(cyclopropylmethyl)pro…

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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)	3.63	10.39	-9.35	1	2	0	21	264.369	4	↓ MOL2 SDF SMILES Flexibase

70103506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-5-fluoro-benzimidazole-2-thiol 1-[(1S)-1-(cyclopropylmethyl)pro…

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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)	3.63	10.3	-9.98	1	2	0	21	264.369	4	↓ MOL2 SDF SMILES Flexibase

70103507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-5-fluoro-benzimidazole-2-thiol 1-[(1R)-1-(cyclopropylmethyl)pro…

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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)	3.63	10.4	-9.72	1	2	0	21	264.369	4	↓ MOL2 SDF SMILES Flexibase

70103508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-4-fluoro-benzimidazole-2-thiol 1-[(1S)-1-(cyclopropylmethyl)pro…

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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)	3.61	10.3	-11.91	1	2	0	21	264.369	4	↓ MOL2 SDF SMILES Flexibase

70103509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-4-fluoro-benzimidazole-2-thiol 1-[(1R)-1-(cyclopropylmethyl)pro…

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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)	3.61	10.39	-11.58	1	2	0	21	264.369	4	↓ MOL2 SDF SMILES Flexibase

70103510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(1S)-1-(cyclopropylmethyl)pro…

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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)	3.61	9.6	-10.52	1	3	0	30	294.395	5	↓ MOL2 SDF SMILES Flexibase

70103511

Analogs

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Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-5-fluoro-6-methoxy-benzimidazole-2-thiol 1-[(1R)-1-(cyclopropylmethyl)pro…

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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)	3.61	9.6	-10.52	1	3	0	30	294.395	5	↓ MOL2 SDF SMILES Flexibase

70103512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-6,7-difluoro-benzimidazole-2-thiol 1-[(1S)-1-(cyclopropylmethyl)pro…

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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	10.29	-10.03	1	2	0	21	282.359	4	↓ MOL2 SDF SMILES Flexibase

70103513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-6,7-difluoro-benzimidazole-2-thiol 1-[(1R)-1-(cyclopropylmethyl)pro…

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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	10.39	-10.36	1	2	0	21	282.359	4	↓ MOL2 SDF SMILES Flexibase

70103514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-1-[(1S)-1-(cyclopropylmethyl)propyl]benzimidazole-2-thiol 7-chloro-1-[(1S)-1-(cyclopropylm…

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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)	4.12	10.58	-10.02	1	2	0	21	280.824	4	↓ MOL2 SDF SMILES Flexibase

70103515

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Popular Name: 7-chloro-1-[(1R)-1-(cyclopropylmethyl)propyl]benzimidazole-2-thiol 7-chloro-1-[(1R)-1-(cyclopropylm…

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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)	4.12	10.67	-10.21	1	2	0	21	280.824	4	↓ MOL2 SDF SMILES Flexibase

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