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ZINC Item

Suppliers, Protomers, & Similar Substances

7149298

Analogs

25511022

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)	2.59	1.34	-11.6	1	6	0	92	387.436	8	↓ MOL2 SDF SMILES Flexibase

7149702

Analogs

25511022

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)	2.67	2.66	-12.69	0	6	0	83	383.473	8	↓ MOL2 SDF SMILES Flexibase

7149836

Analogs

25511022

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)	2.42	0.6	-10.83	1	6	0	92	369.446	8	↓ MOL2 SDF SMILES Flexibase

7149927

Analogs

7149930
25511022

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)	2.98	1.36	-11.36	1	6	0	92	383.473	8	↓ MOL2 SDF SMILES Flexibase

7149930

Analogs

25511022
7149927

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)	2.98	1.36	-11.36	1	6	0	92	383.473	8	↓ MOL2 SDF SMILES Flexibase

30831867

Analogs

39335515

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetyl]amino]methyl]benzoic 4-[[[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)	1.27	5.21	-59.81	3	8	-1	156	366.382	6	↓ MOL2 SDF SMILES Flexibase

53307478

Analogs

26346930

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide N-[(1S)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	10.28	-8.85	0	3	0	33	372.387	6	↓ MOL2 SDF SMILES Flexibase

53307481

Analogs

26346930

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide N-[(1R)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.01	9.5	-9.65	0	3	0	33	372.387	6	↓ MOL2 SDF SMILES Flexibase

53359986

Analogs

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Popular Name: 2-(2-pyridylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide 2-(2-pyridylsulfanyl)-N-[[3-(2,2…

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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)	3.10	6.85	-12.1	1	4	0	51	356.369	8	↓ MOL2 SDF SMILES Flexibase

22360677

Analogs

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Popular Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide 2-[(3-cyano-4,6-dimethyl-2-pyrid…

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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)	1.79	4.65	-25.2	2	7	0	112	418.544	8	↓ MOL2 SDF SMILES Flexibase

22360811

Analogs

10266935

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide (2R)-2-[(3-cyano-4,6-dimethyl-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)	3.06	7.97	-15.53	1	5	0	75	355.463	6	↓ MOL2 SDF SMILES Flexibase

22360812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-[(3-methoxyphenyl)methyl]propanamide (2S)-2-[(3-cyano-4,6-dimethyl-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)	3.06	7.96	-15.62	1	5	0	75	355.463	6	↓ MOL2 SDF SMILES Flexibase

22360823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(o-tolylmethyl)propanamide (2R)-2-[(3-cyano-4,6-dimethyl-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)	3.43	9.34	-14.1	1	4	0	66	339.464	5	↓ MOL2 SDF SMILES Flexibase

22360824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(o-tolylmethyl)propanamide (2S)-2-[(3-cyano-4,6-dimethyl-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)	3.43	9.33	-14.27	1	4	0	66	339.464	5	↓ MOL2 SDF SMILES Flexibase

13279206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(benzylcarbamoyl)propyl]sulfanylpyridine-3-carboxylic 2-[(1R)-1-(benzylcarbamoyl)propy…

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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)	2.53	7.17	-58.06	1	5	-1	82	329.401	7	↓ MOL2 SDF SMILES Flexibase

13279207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(benzylcarbamoyl)propyl]sulfanylpyridine-3-carboxylic 2-[(1S)-1-(benzylcarbamoyl)propy…

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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)	2.53	7.12	-59.06	1	5	-1	82	329.401	7	↓ MOL2 SDF SMILES Flexibase

23942448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-ethyl-propanamide (2R)-N-benzyl-2-[(3-cyano-4,6-di…

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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	11.61	-15.13	0	4	0	57	353.491	6	↓ MOL2 SDF SMILES Flexibase

23942450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-ethyl-propanamide (2S)-N-benzyl-2-[(3-cyano-4,6-di…

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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	11.49	-15.55	0	4	0	57	353.491	6	↓ MOL2 SDF SMILES Flexibase

26144330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanam (2R)-2-[[3-cyano-6-methyl-4-(tri…

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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)	3.59	8.9	-16.48	1	4	0	66	397.397	6	↓ MOL2 SDF SMILES Flexibase

26144337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]-N-[(2-fluorophenyl)methyl]propanam (2S)-2-[[3-cyano-6-methyl-4-(tri…

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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)	3.59	8.89	-16.04	1	4	0	66	397.397	6	↓ MOL2 SDF SMILES Flexibase

54772926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chloro-2-pyridyl)sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-acetamide 2-[(3-chloro-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)	3.04	8.85	-15.31	0	5	0	52	380.897	8	↓ MOL2 SDF SMILES Flexibase

58005321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide N-methyl-N-[(1S)-1-(3-nitropheny…

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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)	3.78	10.93	-11.4	0	6	0	79	399.394	7	↓ MOL2 SDF SMILES Flexibase

58005324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-2-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetamide N-methyl-N-[(1R)-1-(3-nitropheny…

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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)	3.78	10.14	-15.97	0	6	0	79	399.394	7	↓ MOL2 SDF SMILES Flexibase

60582915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-benzyl-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)	1.96	8.54	-15.51	2	6	0	107	351.435	5	↓ MOL2 SDF SMILES Flexibase

60582938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-[(1R)-1-phenylethyl]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)	2.28	7.38	-13.9	3	6	0	116	351.435	5	↓ MOL2 SDF SMILES Flexibase

60582991

Analogs

38443856

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]-N-[(4-fluorophenyl)methyl]-N-methyl-acetamide 2-[(6-amino-3,5-dicyano-2-pyridy…

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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)	1.76	7.81	-16.03	2	6	0	107	355.398	5	↓ MOL2 SDF SMILES Flexibase

41070425

Analogs

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Popular Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanylpyridine-4-carboxylic 2-[2-(benzylamino)-2-oxo-ethyl]s…

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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)	2.00	6.72	-49.92	1	5	-1	82	301.347	6	↓ MOL2 SDF SMILES Flexibase

37190338

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(3-fluoro-4-methyl-phenyl)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)	2.12	4.83	-10.02	3	4	0	68	305.378	5	↓ MOL2 SDF SMILES Flexibase

37190341

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1S)-1-(4-bromophenyl)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)	2.94	5.58	-9.53	3	4	0	68	366.284	5	↓ MOL2 SDF SMILES Flexibase

37190342

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1R)-1-(4-bromophenyl)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)	2.94	5.58	-9.51	3	4	0	68	366.284	5	↓ MOL2 SDF SMILES Flexibase

37190346

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(3-chlorophenyl)methyl]-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)	2.47	6.77	-12.24	2	4	0	59	321.833	5	↓ MOL2 SDF SMILES Flexibase

37190355

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1R)-1-(o-tolyl)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)	2.54	5.45	-9.48	3	4	0	68	301.415	5	↓ MOL2 SDF SMILES Flexibase

37190356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1S)-1-(o-tolyl)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)	2.54	5.54	-9.48	3	4	0	68	301.415	5	↓ MOL2 SDF SMILES Flexibase

37190383

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(3-methoxyphenyl)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)	1.61	3.42	-10.56	3	5	0	77	303.387	6	↓ MOL2 SDF SMILES Flexibase

37190390

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(2-fluorophenyl)methyl]-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)	1.94	6.29	-13.88	2	4	0	59	305.378	5	↓ MOL2 SDF SMILES Flexibase

37190429

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-methyl-N-[(1S)-1-phenylethyl]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)	2.38	7.23	-10.07	2	4	0	59	301.415	5	↓ MOL2 SDF SMILES Flexibase

37190430

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-methyl-N-[(1R)-1-phenylethyl]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)	2.38	6.44	-10.79	2	4	0	59	301.415	5	↓ MOL2 SDF SMILES Flexibase

37190432

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(4-fluoro-3-methyl-phenyl)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)	2.12	4.82	-9.77	3	4	0	68	305.378	5	↓ MOL2 SDF SMILES Flexibase

37190453

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(2-methoxyphenyl)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)	1.58	3.46	-10.69	3	5	0	77	303.387	6	↓ MOL2 SDF SMILES Flexibase

37190466

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-methyl-N-(p-tolylmethyl)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)	2.27	6.94	-10.88	2	4	0	59	301.415	5	↓ MOL2 SDF SMILES Flexibase

37190467

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-methyl-N-(o-tolylmethyl)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)	2.22	7.39	-10.83	2	4	0	59	301.415	5	↓ MOL2 SDF SMILES Flexibase

37190468

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(2-bromophenyl)methyl]-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)	2.58	7.43	-10.23	2	4	0	59	366.284	5	↓ MOL2 SDF SMILES Flexibase

37190472

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1S)-1-(2-chlorophenyl)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)	2.77	5.44	-11.07	3	4	0	68	321.833	5	↓ MOL2 SDF SMILES Flexibase

37190473

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1R)-1-(2-chlorophenyl)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)	2.77	5.39	-10.96	3	4	0	68	321.833	5	↓ MOL2 SDF SMILES Flexibase

37190484

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-benzyl-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)	2.20	7.17	-10.42	2	4	0	59	301.415	6	↓ MOL2 SDF SMILES Flexibase

37190532

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1S)-1-(4-fluorophenyl)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)	2.30	5.02	-10.08	3	4	0	68	305.378	5	↓ MOL2 SDF SMILES Flexibase

37190533

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(1R)-1-(4-fluorophenyl)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)	2.30	5.02	-10.06	3	4	0	68	305.378	5	↓ MOL2 SDF SMILES Flexibase

37190677

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-benzyl-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)	1.82	6.26	-10.86	2	4	0	59	287.388	5	↓ MOL2 SDF SMILES Flexibase

37190682

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(2-chlorophenyl)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)	2.21	4.54	-9.77	3	4	0	68	307.806	5	↓ MOL2 SDF SMILES Flexibase

37190699

Analogs

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Popular Name: 2-[(3-amino-2-pyridyl)sulfanyl]-N-[(4-chlorophenyl)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)	2.25	4.64	-9.17	3	4	0	68	307.806	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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