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ZINC Item

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18973571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-methoxy-phenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-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)	3.55	9.09	-19.74	2	9	0	111	469.567	8	↓ MOL2 SDF SMILES Flexibase

13265776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 2-[[2-[[4-cyclohexyl-5-(2-furyl)…

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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)	4.39	10.79	-55.51	1	8	-1	113	425.49	7	↓ MOL2 SDF SMILES Flexibase

13265929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 4-[[2-[[4-cyclohexyl-5-(2-furyl)…

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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)	4.26	10.45	-60.39	1	8	-1	113	425.49	7	↓ MOL2 SDF SMILES Flexibase

13266256

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 4-chloro-2-[[2-[[4-cyclohexyl-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)	5.04	11.25	-49.54	1	8	-1	113	459.935	7	↓ MOL2 SDF SMILES Flexibase

13266340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 3-[[2-[[4-cyclohexyl-5-(2-furyl)…

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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	10.45	-67.49	1	8	-1	113	425.49	7	↓ MOL2 SDF SMILES Flexibase

13266473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-2-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 3,5-dichloro-2-[[2-[[4-cyclohexy…

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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)	5.65	11.86	-49.67	1	8	-1	113	494.38	7	↓ MOL2 SDF SMILES Flexibase

13266840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic 4-chloro-3-[[2-[[4-cyclohexyl-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)	4.86	11.07	-59.22	1	8	-1	113	459.935	7	↓ MOL2 SDF SMILES Flexibase

13266921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylic 5-[[2-[[4-cyclohexyl-5-(2-furyl)…

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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	10.06	-124.31	1	10	-2	153	468.491	8	↓ MOL2 SDF SMILES Flexibase

13409318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]terephthalic 2-[[2-[[4-cyclohexyl-5-(2-furyl)…

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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	10.47	-109.11	1	10	-2	153	468.491	8	↓ MOL2 SDF SMILES Flexibase

16864222

Analogs

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Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanami (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	4.65	11.85	-13.55	1	10	0	128	471.539	8	↓ MOL2 SDF SMILES Flexibase

16864223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanami (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	4.65	11.77	-13.21	1	10	0	128	471.539	8	↓ MOL2 SDF SMILES Flexibase

16864228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.14	11.69	-13.69	1	7	0	82	440.569	8	↓ MOL2 SDF SMILES Flexibase

16864229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.14	11.7	-13.38	1	7	0	82	440.569	8	↓ MOL2 SDF SMILES Flexibase

16864232

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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	10.77	-13.35	1	7	0	82	426.542	7	↓ MOL2 SDF SMILES Flexibase

16864233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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	10.78	-13.46	1	7	0	82	426.542	7	↓ MOL2 SDF SMILES Flexibase

16864234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	3.38	6.45	-21.01	3	9	0	133	475.596	7	↓ MOL2 SDF SMILES Flexibase

16864235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	3.38	6.44	-21	3	9	0	133	475.596	7	↓ MOL2 SDF SMILES Flexibase

16864236

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanam (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.55	12.76	-11.8	1	6	0	73	464.513	7	↓ MOL2 SDF SMILES Flexibase

16864237

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanam (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.55	12.76	-11.68	1	6	0	73	464.513	7	↓ MOL2 SDF SMILES Flexibase

16864242

Analogs

20731593
10015123

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)propanamide (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.70	13.57	-11.87	1	6	0	73	438.597	7	↓ MOL2 SDF SMILES Flexibase

16864243

Analogs

20731593
10015123

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)propanamide (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.70	13.59	-11.8	1	6	0	73	438.597	7	↓ MOL2 SDF SMILES Flexibase

16864248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)propanam (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.14	11.58	-12.67	1	7	0	82	440.569	7	↓ MOL2 SDF SMILES Flexibase

16864249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)propanam (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.14	11.58	-12.7	1	7	0	82	440.569	7	↓ MOL2 SDF SMILES Flexibase

16864256

Analogs

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Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-difluorophenyl)propanamide (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	4.96	11.65	-12.09	1	6	0	73	432.496	6	↓ MOL2 SDF SMILES Flexibase

16864257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-difluorophenyl)propanamide (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	4.96	11.66	-12.05	1	6	0	73	432.496	6	↓ MOL2 SDF SMILES Flexibase

16864258

Analogs

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Popular Name: (2R)-N-(4-bromo-2-fluoro-phenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamid (2R)-N-(4-bromo-2-fluoro-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)	5.61	12.22	-10.34	1	6	0	73	493.402	6	↓ MOL2 SDF SMILES Flexibase

16864259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamid (2S)-N-(4-bromo-2-fluoro-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)	5.61	12.22	-10.36	1	6	0	73	493.402	6	↓ MOL2 SDF SMILES Flexibase

16864264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)propanamide (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	4.96	11.6	-15.48	1	6	0	73	432.496	6	↓ MOL2 SDF SMILES Flexibase

16864265

Analogs

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Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)propanamide (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	4.96	11.61	-15.65	1	6	0	73	432.496	6	↓ MOL2 SDF SMILES Flexibase

16864269

Analogs

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Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)propanamide (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.09	11.83	-12.25	1	7	0	82	440.569	8	↓ MOL2 SDF SMILES Flexibase

16864270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)propanamide (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.09	11.84	-12.25	1	7	0	82	440.569	8	↓ MOL2 SDF SMILES Flexibase

16864273

Analogs

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Popular Name: (2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl (2R)-N-[4-chloro-2-(trifluoromet…

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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)	6.21	13.25	-9.88	1	6	0	73	498.958	7	↓ MOL2 SDF SMILES Flexibase

16864274

Analogs

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Popular Name: (2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl (2S)-N-[4-chloro-2-(trifluoromet…

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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)	6.21	13.26	-9.89	1	6	0	73	498.958	7	↓ MOL2 SDF SMILES Flexibase

16864275

Analogs

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Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methyl-phenyl)propanami (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.25	12.2	-14.72	1	6	0	73	428.533	6	↓ MOL2 SDF SMILES Flexibase

16864276

Analogs

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Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methyl-phenyl)propanami (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.25	12.18	-12.04	1	6	0	73	428.533	6	↓ MOL2 SDF SMILES Flexibase

16864279

Analogs

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Popular Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanam (2R)-N-(3-chloro-4-methoxy-pheny…

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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)	5.37	11.32	-15.75	1	7	0	82	460.987	7	↓ MOL2 SDF SMILES Flexibase

16864280

Analogs

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Popular Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanam (2S)-N-(3-chloro-4-methoxy-pheny…

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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)	5.37	11.34	-15.73	1	7	0	82	460.987	7	↓ MOL2 SDF SMILES Flexibase

16864285

Analogs

39766578

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Popular Name: (2R)-N-(5-chloro-2-methyl-phenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanami (2R)-N-(5-chloro-2-methyl-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)	5.76	12.9	-13.36	1	6	0	73	444.988	6	↓ MOL2 SDF SMILES Flexibase

16864286

Analogs

39766578

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-chloro-2-methyl-phenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanami (2S)-N-(5-chloro-2-methyl-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)	5.76	12.9	-13.34	1	6	0	73	444.988	6	↓ MOL2 SDF SMILES Flexibase

16864287

Analogs

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Popular Name: (2R)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]propanam (2R)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.27	11.18	-13.87	1	7	0	82	462.522	8	↓ MOL2 SDF SMILES Flexibase

16864288

Analogs

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Popular Name: (2S)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(difluoromethoxy)phenyl]propanam (2S)-2-[[4-cyclohexyl-5-(2-furyl…

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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)	5.27	11.18	-13.88	1	7	0	82	462.522	8	↓ MOL2 SDF SMILES Flexibase

16864289

Analogs

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Popular Name: (2R)-N-(2-acetylphenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2R)-N-(2-acetylphenyl)-2-[[4-cy…

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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	12.36	-15.1	1	7	0	90	438.553	7	↓ MOL2 SDF SMILES Flexibase

16864290

Analogs

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Popular Name: (2S)-N-(2-acetylphenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide (2S)-N-(2-acetylphenyl)-2-[[4-cy…

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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	12.31	-14.79	1	7	0	90	438.553	7	↓ MOL2 SDF SMILES Flexibase

16864299

Analogs

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Popular Name: (2R)-N-(3-chloro-4-cyano-phenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamid (2R)-N-(3-chloro-4-cyano-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)	5.07	12.3	-14.36	1	7	0	97	455.971	6	↓ MOL2 SDF SMILES Flexibase

16864300

Analogs

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Popular Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]propanamid (2S)-N-(3-chloro-4-cyano-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)	5.07	12.3	-14.46	1	7	0	97	455.971	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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