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ZINC Item

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6728435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-bromo-3H-benzoimidazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)-acetamide 2-[(5-bromo-3H-benzoimidazol-2-y…

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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)	4.76	8.75	-9.73	2	4	0	58	390.306	4	↓ MOL2 SDF SMILES Flexibase

35622806

Analogs

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Popular Name: 2-[(4-Chlorophenyl)carbamoylmethylthio)]-1H-benzo-[d]imidazol-1-yl-(2,2,2-trichloroethyl)formamide 2-[(4-Chlorophenyl)carbamoylmeth…

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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)	5.40	10	-13.55	2	6	0	76	492.215	6	↓ MOL2 SDF SMILES Flexibase

17987045

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide N-(4-chloro-2-methyl-phenyl)-2-[…

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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)	4.63	8.59	-10.77	2	4	0	58	345.855	4	↓ MOL2 SDF SMILES Flexibase

18951020

Analogs

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Popular Name: N-(5-acetamido-2-methoxy-phenyl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-acetamide N-(5-acetamido-2-methoxy-phenyl)…

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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)	4.87	10.59	-15.64	2	7	0	85	454.596	11	↓ MOL2 SDF SMILES Flexibase

18956750

Analogs

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Popular Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]acetamide 2-[(6-chloro-1H-benzimidazol-2-y…

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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)	4.23	7.7	-21.57	2	8	0	104	497.042	10	↓ MOL2 SDF SMILES Flexibase

36145218

Analogs

4741874

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Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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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	8.36	-118.37	2	8	-2	138	383.385	6	↓ MOL2 SDF SMILES Flexibase

12537540

Analogs

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Popular Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide 2-[(6-chloro-1H-benzimidazol-2-y…

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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)	3.74	7.78	-17.65	2	7	0	104	362.798	5	↓ MOL2 SDF SMILES Flexibase

12537687

Analogs

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Popular Name: 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide 2-[1-(2-methoxyethyl)benzimidazo…

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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	8.9	-19.13	1	8	0	102	386.433	8	↓ MOL2 SDF SMILES Flexibase

12538209

Analogs

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Popular Name: ethyl 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)	4.94	12.3	-13.7	1	6	0	73	411.527	8	↓ MOL2 SDF SMILES Flexibase

12538576

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide N-(2-cyanoethyl)-N-(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)	3.09	11.48	-16.05	0	5	0	62	368.437	6	↓ MOL2 SDF SMILES Flexibase

12538897

Analogs

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Popular Name: ethyl 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)	4.23	10.84	-13.16	1	6	0	73	401.463	8	↓ MOL2 SDF SMILES Flexibase

12539274

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-acetamide N-(3-chloro-4-methoxy-phenyl)-2-…

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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)	4.30	8.74	-19.18	1	8	0	94	511.069	10	↓ MOL2 SDF SMILES Flexibase

12539459

Analogs

8310564

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Popular Name: (2R)-N-(2,5-dichlorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide (2R)-N-(2,5-dichlorophenyl)-2-(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)	4.87	10.3	-9.64	1	4	0	47	380.3	4	↓ MOL2 SDF SMILES Flexibase

22733456

Analogs

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Popular Name: (2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methylsulfanylphenyl)propanamide (2R)-2-[(5-methyl-1H-benzimidazo…

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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)	4.35	9.09	-13.1	2	4	0	58	357.504	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.35	9.13	-35.01	3	4	1	59	358.512	5	↓ MOL2 SDF SMILES Flexibase

22733460

Analogs

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Popular Name: (2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methylsulfanylphenyl)propanamide (2S)-2-[(5-methyl-1H-benzimidazo…

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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)	4.35	9.1	-13.12	2	4	0	58	357.504	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.35	9.21	-31.64	3	4	1	59	358.512	5	↓ MOL2 SDF SMILES Flexibase

22733912

Analogs

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Popular Name: N-methyl-3-[[(2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoyl]amino]benzamide N-methyl-3-[[(2R)-2-[(5-methyl-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)	3.11	6.36	-21.02	3	6	0	87	368.462	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.11	6.41	-42.47	4	6	1	88	369.47	5	↓ MOL2 SDF SMILES Flexibase

22733915

Analogs

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Popular Name: N-methyl-3-[[(2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoyl]amino]benzamide N-methyl-3-[[(2S)-2-[(5-methyl-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)	3.11	6.36	-21.29	3	6	0	87	368.462	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.11	6.48	-37.2	4	6	1	88	369.47	5	↓ MOL2 SDF SMILES Flexibase

22734455

Analogs

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Popular Name: (2R)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfonylphenyl)propanamide (2R)-2-[(5-methyl-1H-benzimidazo…

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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	6.23	-14.79	2	6	0	92	389.502	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.20	6.28	-38.29	3	6	1	93	390.51	5	↓ MOL2 SDF SMILES Flexibase

22734457

Analogs

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Popular Name: (2S)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methylsulfonylphenyl)propanamide (2S)-2-[(5-methyl-1H-benzimidazo…

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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	6.24	-14.26	2	6	0	92	389.502	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.20	6.33	-38.98	3	6	1	93	390.51	5	↓ MOL2 SDF SMILES Flexibase

22734514

Analogs

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Popular Name: (2R)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (2R)-N-(2-cyanoethyl)-N-(2-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)	3.65	10.6	-14.17	1	6	0	82	394.5	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.65	10.65	-37.24	2	6	1	83	395.508	7	↓ MOL2 SDF SMILES Flexibase

22734518

Analogs

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Popular Name: (2S)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide (2S)-N-(2-cyanoethyl)-N-(2-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)	3.65	10.55	-12.43	1	6	0	82	394.5	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.65	10.83	-32.92	2	6	1	83	395.508	7	↓ MOL2 SDF SMILES Flexibase

13254720

Analogs

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Popular Name: 2-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]terephthalic 2-[[2-(1-ethylbenzimidazol-2-yl)…

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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)	3.53	8.82	-107.55	1	8	-2	127	397.412	7	↓ MOL2 SDF SMILES Flexibase

13254742

Analogs

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Popular Name: (E)-3-[4-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-(1-ethylbenzimidazo…

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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)	3.57	10.02	-60.55	1	6	-1	87	380.449	7	↓ MOL2 SDF SMILES Flexibase

13254750

Analogs

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Popular Name: 2-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]terephthalic 2-[[2-(1-methylbenzimidazol-2-yl…

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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)	3.15	7.91	-107.48	1	8	-2	127	383.385	6	↓ MOL2 SDF SMILES Flexibase

13254775

Analogs

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Popular Name: (E)-3-[4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-(1-methylbenzimidaz…

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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)	3.19	9.11	-60.91	1	6	-1	87	366.422	6	↓ MOL2 SDF SMILES Flexibase

13256086

Analogs

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Popular Name: 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]terephthalic 2-[[2-[(6-methoxy-1H-benzimidazo…

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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	5.52	-105.46	2	9	-2	147	399.384	7	↓ MOL2 SDF SMILES Flexibase

13256104

Analogs

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Popular Name: (E)-3-[4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-[(6-methoxy-1H-benz…

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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)	3.16	6.73	-60.8	2	7	-1	107	382.421	7	↓ MOL2 SDF SMILES Flexibase

13256256

Analogs

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Popular Name: 2-[[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]amino]terephthalic 2-[[2-(1-isobutylbenzimidazol-2-…

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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	9.97	-107.55	1	8	-2	127	425.466	8	↓ MOL2 SDF SMILES Flexibase

13256276

Analogs

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Popular Name: (E)-3-[4-[[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-(1-isobutylbenzimid…

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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)	4.31	10.97	-60	1	6	-1	87	408.503	8	↓ MOL2 SDF SMILES Flexibase

13256321

Analogs

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Popular Name: 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]amino]terephthalic 2-[[2-[1-(2-methoxyethyl)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)	3.13	7.87	-107.27	1	9	-2	136	427.438	9	↓ MOL2 SDF SMILES Flexibase

13256325

Analogs

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Popular Name: 4-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoic 4-[[2-(1-allylbenzimidazol-2-yl)…

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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	9.36	-59.36	1	6	-1	87	366.422	7	↓ MOL2 SDF SMILES Flexibase

13256327

Analogs

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Popular Name: 2-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-chloro-benzoic 2-[[2-(1-allylbenzimidazol-2-yl)…

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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)	4.56	10.23	-48.63	1	6	-1	87	400.867	7	↓ MOL2 SDF SMILES Flexibase

13256329

Analogs

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Popular Name: 2-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]-3,5-dichloro-benzoic 2-[[2-(1-allylbenzimidazol-2-yl)…

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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)	5.17	10.88	-49.51	1	6	-1	87	435.312	7	↓ MOL2 SDF SMILES Flexibase

13256331

Analogs

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Popular Name: 3-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-chloro-benzoic 3-[[2-(1-allylbenzimidazol-2-yl)…

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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)	4.38	9.99	-58.47	1	6	-1	87	400.867	7	↓ MOL2 SDF SMILES Flexibase

13256333

Analogs

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Popular Name: 5-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylic 5-[[2-(1-allylbenzimidazol-2-yl)…

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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	8.96	-123.42	1	8	-2	127	409.423	8	↓ MOL2 SDF SMILES Flexibase

13256335

Analogs

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Popular Name: 2-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]-5-bromo-benzoic 2-[[2-(1-allylbenzimidazol-2-yl)…

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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)	4.69	10.34	-49.55	1	6	-1	87	445.318	7	↓ MOL2 SDF SMILES Flexibase

13256339

Analogs

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Popular Name: 3-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-methyl-benzoic 3-[[2-(1-allylbenzimidazol-2-yl)…

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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)	4.15	10.19	-67.47	1	6	-1	87	380.449	7	↓ MOL2 SDF SMILES Flexibase

13256344

Analogs

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Popular Name: (E)-3-[4-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-[1-(2-methoxyethyl)…

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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)	3.18	9.07	-60.64	1	7	-1	96	410.475	9	↓ MOL2 SDF SMILES Flexibase

13256345

Analogs

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Popular Name: 3-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoic 3-[[2-(1-allylbenzimidazol-2-yl)…

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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	9.36	-66.87	1	6	-1	87	366.422	7	↓ MOL2 SDF SMILES Flexibase

13256347

Analogs

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Popular Name: 2-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoic 2-[[2-(1-allylbenzimidazol-2-yl)…

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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	9.71	-53.91	1	6	-1	87	366.422	7	↓ MOL2 SDF SMILES Flexibase

23011973

Analogs

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Popular Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-ethyl-N-(4-fluorophenyl)acetamide 2-[(6-chloro-1H-benzimidazol-2-y…

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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)	4.59	9.77	-10.3	1	4	0	49	363.845	5	↓ MOL2 SDF SMILES Flexibase

23018624

Analogs

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Popular Name: 2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-N-ethyl-N-(4-fluorophenyl)acetamide 2-[5-(diethylsulfamoyl)-1-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)	4.42	11.58	-15.61	0	7	0	76	492.642	10	↓ MOL2 SDF SMILES Flexibase

13281252

Analogs

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Popular Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-fluoro-2-methyl-phenyl)acetamide 2-[(6-chloro-1H-benzimidazol-2-y…

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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)	4.35	8.03	-11.68	2	4	0	58	349.818	4	↓ MOL2 SDF SMILES Flexibase

13281403

Analogs

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Popular Name: BRD-K01853840-001-01-8 BRD-K01853840-001-01-8

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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)	4.21	7.69	-11.9	2	4	0	58	409.252	4	↓ MOL2 SDF SMILES Flexibase

13281930

Analogs

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Popular Name: BRD-K22317378-001-01-9 BRD-K22317378-001-01-9

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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)	4.57	7.84	-8.52	2	4	0	58	396.697	4	↓ MOL2 SDF SMILES Flexibase

13410047

Analogs

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Popular Name: 2-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]terephthalic 2-[[2-(1-allylbenzimidazol-2-yl)…

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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)	3.79	9.37	-108.23	1	8	-2	127	409.423	8	↓ MOL2 SDF SMILES Flexibase

13410094

Analogs

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Popular Name: (E)-3-[4-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[2-(1-allylbenzimidazo…

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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	10.58	-60.74	1	6	-1	87	392.46	8	↓ MOL2 SDF SMILES Flexibase

23044027

Analogs

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Popular Name: N-(3-ethylphenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide N-(3-ethylphenyl)-2-(1-propyl-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)	3.66	6.2	-19.9	3	7	0	107	432.571	8	↓ MOL2 SDF SMILES Flexibase

23044031

Analogs

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Popular Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide (2S)-N-(2-methoxy-5-nitro-phenyl…

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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)	3.07	5.77	-25.97	3	11	0	162	493.567	9	↓ MOL2 SDF SMILES Flexibase

23044032

Analogs

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Popular Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide (2R)-N-(2-methoxy-5-nitro-phenyl…

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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)	3.07	5.76	-25.46	3	11	0	162	493.567	9	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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