ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

7149984

Analogs

7149905

Draw Identity 99% 90% 80% 70%

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)	2.93	0.37	-11.18	1	6	0	92	361.467	7	↓ MOL2 SDF SMILES Flexibase

13281409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide 2-[[3-cyano-4-(methoxymethyl)-6-…

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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)	2.92	7.8	-11.25	1	5	0	75	347.484	6	↓ MOL2 SDF SMILES Flexibase

13281410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide 2-[[3-cyano-4-(methoxymethyl)-6-…

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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)	2.92	7.4	-11.78	1	5	0	75	347.484	6	↓ MOL2 SDF SMILES Flexibase

13281411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide 2-[[3-cyano-4-(methoxymethyl)-6-…

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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)	2.92	7.4	-11.77	1	5	0	75	347.484	6	↓ MOL2 SDF SMILES Flexibase

13281412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide 2-[[3-cyano-4-(methoxymethyl)-6-…

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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)	2.92	7.8	-11.26	1	5	0	75	347.484	6	↓ MOL2 SDF SMILES Flexibase

58528711

Analogs

43895694
43895696
43895698
43895700

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-chloro-2-pyridyl)sulfanyl]-N-cyclohexyl-N-methyl-propanamide (2S)-2-[(3-chloro-2-pyridyl)sulf…

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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)	3.88	8.93	-10.76	0	3	0	33	312.866	4	↓ MOL2 SDF SMILES Flexibase

58528716

Analogs

43895694
43895696
43895698
43895700

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-chloro-2-pyridyl)sulfanyl]-N-cyclohexyl-N-methyl-propanamide (2R)-2-[(3-chloro-2-pyridyl)sulf…

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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)	3.88	8.94	-10.63	0	3	0	33	312.866	4	↓ MOL2 SDF SMILES Flexibase

60582962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-cyclohexyl-N-methyl-propanamide (2S)-2-[(6-amino-3,5-dicyano-2-p…

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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)	2.47	7.92	-14.26	2	6	0	107	343.456	4	↓ MOL2 SDF SMILES Flexibase

41070252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[(1S)-2-(cyclohexylamino)-1-me…

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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)	2.87	7.33	-50.68	1	5	-1	82	307.395	5	↓ MOL2 SDF SMILES Flexibase

41070254

Analogs

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Popular Name: 2-[(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[(1R)-2-(cyclohexylamino)-1-me…

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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)	2.87	7.34	-50.68	1	5	-1	82	307.395	5	↓ MOL2 SDF SMILES Flexibase

41070379

Analogs

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Popular Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-(cyclohexylamino)-2-oxo-eth…

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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)	2.51	6.39	-50.5	1	5	-1	82	293.368	5	↓ MOL2 SDF SMILES Flexibase

41070451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-[[(1S,2R)-2-methylcyclohexy…

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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)	2.75	7.65	-49.81	1	5	-1	82	307.395	5	↓ MOL2 SDF SMILES Flexibase

41070453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-[[(1S,2S)-2-methylcyclohexy…

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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)	2.75	7.25	-50.33	1	5	-1	82	307.395	5	↓ MOL2 SDF SMILES Flexibase

41070455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-[[(1R,2R)-2-methylcyclohexy…

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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)	2.75	7.25	-50.33	1	5	-1	82	307.395	5	↓ MOL2 SDF SMILES Flexibase

41070457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-[[(1R,2S)-2-methylcyclohexy…

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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)	2.75	7.65	-49.82	1	5	-1	82	307.395	5	↓ MOL2 SDF SMILES Flexibase

41070643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-[(4-methylcyclohexyl)amino]…

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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)	2.28	7.41	-49.89	1	5	-1	82	307.395	5	↓ MOL2 SDF SMILES Flexibase

41070682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-[cyclohexyl(methyl)amino]-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)	2.76	8.23	-50.84	0	5	-1	73	307.395	5	↓ MOL2 SDF SMILES Flexibase

37190357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-cyclohexyl-N-isopropyl-acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	3.00	7.1	-8.38	2	4	0	59	307.463	5	↓ MOL2 SDF SMILES Flexibase

37190474

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.18	5.28	-15.92	2	5	0	83	304.419	4	↓ MOL2 SDF SMILES Flexibase

37190485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-cyclohexyl-N-ethyl-acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.70	6.61	-8.82	2	4	0	59	293.436	5	↓ MOL2 SDF SMILES Flexibase

37190650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.56	4.73	-8.95	3	4	0	68	293.436	4	↓ MOL2 SDF SMILES Flexibase

37190651

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.56	5.52	-8.44	3	4	0	68	293.436	4	↓ MOL2 SDF SMILES Flexibase

37190652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.56	4.9	-8.97	3	4	0	68	293.436	4	↓ MOL2 SDF SMILES Flexibase

37190653

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.56	5.12	-8.98	3	4	0	68	293.436	4	↓ MOL2 SDF SMILES Flexibase

37190669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-cyclohexyl-N-methyl-acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.33	5.64	-9.6	2	4	0	59	279.409	4	↓ MOL2 SDF SMILES Flexibase

37190713

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-(4-methylcyclohexyl)acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	1.85	4.81	-8.75	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37190826

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	1.94	3.53	-15.45	3	5	0	92	290.392	4	↓ MOL2 SDF SMILES Flexibase

37190864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.10	6.24	-9.51	2	4	0	59	293.436	4	↓ MOL2 SDF SMILES Flexibase

37190868

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.32	5.05	-8.63	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37190869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.32	4.66	-9.11	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37190870

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.32	4.66	-9.1	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37190871

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.32	5.05	-8.63	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37190904

Analogs

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Popular Name: (2S)-2-[(3-amino-2-pyridyl)sulfanyl]-N-cyclohexyl-propanamide (2S)-2-[(3-amino-2-pyridyl)sulfa…

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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)	2.44	4.73	-9.19	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37190905

Analogs

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Popular Name: (2R)-2-[(3-amino-2-pyridyl)sulfanyl]-N-cyclohexyl-propanamide (2R)-2-[(3-amino-2-pyridyl)sulfa…

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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)	2.44	4.73	-9.18	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37190997

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-cyclohexyl-acetamide 2-[(3-amino-2-pyridyl)sulfanyl]-…

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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)	2.08	3.79	-9.31	3	4	0	68	265.382	4	↓ MOL2 SDF SMILES Flexibase

37191157

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-cyclohexyl-N-isopropyl-acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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	7.02	-8.99	2	4	0	59	307.463	5	↓ MOL2 SDF SMILES Flexibase

37191273

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.40	5.2	-16.66	2	5	0	83	304.419	4	↓ MOL2 SDF SMILES Flexibase

37191284

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-cyclohexyl-N-ethyl-acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.92	6.53	-9.4	2	4	0	59	293.436	5	↓ MOL2 SDF SMILES Flexibase

37191448

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.78	4.65	-9.52	3	4	0	68	293.436	4	↓ MOL2 SDF SMILES Flexibase

37191449

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.78	5.45	-8.97	3	4	0	68	293.436	4	↓ MOL2 SDF SMILES Flexibase

37191450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.78	4.82	-9.55	3	4	0	68	293.436	4	↓ MOL2 SDF SMILES Flexibase

37191451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.78	5.04	-9.53	3	4	0	68	293.436	4	↓ MOL2 SDF SMILES Flexibase

37191467

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-cyclohexyl-N-methyl-acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.55	5.56	-10.18	2	4	0	59	279.409	4	↓ MOL2 SDF SMILES Flexibase

37191511

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-(4-methylcyclohexyl)acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.07	4.73	-9.27	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37191623

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.16	3.45	-16.03	3	5	0	92	290.392	4	↓ MOL2 SDF SMILES Flexibase

37191660

Analogs

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Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.32	6.19	-9.9	2	4	0	59	293.436	4	↓ MOL2 SDF SMILES Flexibase

37191664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.54	4.97	-9.18	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37191665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.54	4.58	-9.67	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37191666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.54	4.58	-9.67	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

37191667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-amino-2-pyridyl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide 2-[(5-amino-2-pyridyl)sulfanyl]-…

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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)	2.54	4.97	-9.18	3	4	0	68	279.409	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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