ZINC 12

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)	0.95	3.35	-49.35	4	5	1	75	265.381	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.95	2.95	-14.61	3	5	0	73	264.373	4	↓ MOL2 SDF SMILES Flexibase

36868442

Analogs

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Popular Name: N-cyclohexyl-2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]acetamide N-cyclohexyl-2-[3,5-dimethyl-4-(…

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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)	1.33	5.22	-44.19	3	5	1	64	279.408	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.33	3.77	-13.72	2	5	0	59	278.4	5	↓ MOL2 SDF SMILES Flexibase

36868558

Analogs

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Popular Name: N-cyclohexyl-2-[4-(ethylaminomethyl)-3,5-dimethyl-pyrazol-1-yl]acetamide N-cyclohexyl-2-[4-(ethylaminomet…

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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)	1.70	6.13	-43.66	3	5	1	64	293.435	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.70	4.76	-13.33	2	5	0	59	292.427	6	↓ MOL2 SDF SMILES Flexibase

36869027

Analogs

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Popular Name: 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-methyl-cyclohexanecarboxylic 1-[[2-(3,5-dimethylpyrazol-1-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)	-1.05	7.61	-66.38	1	6	-1	87	292.359	4	↓ MOL2 SDF SMILES Flexibase

36969192

Analogs

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Popular Name: 1-[[2-(4-nitropyrazol-1-yl)acetyl]amino]cyclohexanecarboxylic 1-[[2-(4-nitropyrazol-1-yl)acety…

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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)	-1.38	6.73	-65.91	1	9	-1	133	295.275	5	↓ MOL2 SDF SMILES Flexibase

58329654

Analogs

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Popular Name: 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide 2-(3,5-dimethylpyrazol-1-yl)-N-m…

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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)	1.86	7.81	-13.7	0	4	0	38	263.385	3	↓ MOL2 SDF SMILES Flexibase

2782071

Analogs

2782072
2782073
2782074
2780684
2780685

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Popular Name: 2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide 2-[4-bromo-3-(difluoromethyl)-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)	3.38	1.14	-13.86	1	4	0	46	364.234	4	↓ MOL2 SDF SMILES Flexibase

2782072

Analogs

2782073
2782074
2780684
2780685

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Popular Name: 2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide 2-[4-bromo-3-(difluoromethyl)-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)	3.38	0.53	-15.5	1	4	0	46	364.234	4	↓ MOL2 SDF SMILES Flexibase

2782073

Analogs

2782074
2780404
2780684

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Popular Name: 2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide 2-[4-bromo-3-(difluoromethyl)-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)	3.38	0.56	-14.43	1	4	0	46	364.234	4	↓ MOL2 SDF SMILES Flexibase

2782074

Analogs

2780684
2780685

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Popular Name: 2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide 2-[4-bromo-3-(difluoromethyl)-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)	3.38	1.08	-14.77	1	4	0	46	364.234	4	↓ MOL2 SDF SMILES Flexibase

2782267

Analogs

2782268
2779282

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Popular Name: (2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-propionamide (2S)-2-[4-bromo-5-methyl-3-(trif…

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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)	3.85	0.91	-15.88	1	4	0	46	382.224	4	↓ MOL2 SDF SMILES Flexibase

2782268

Analogs

2779282
2782267

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Popular Name: (2R)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexyl-propionamide (2R)-2-[4-bromo-5-methyl-3-(trif…

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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)	3.85	0.87	-15.8	1	4	0	46	382.224	4	↓ MOL2 SDF SMILES Flexibase

2782342

Analogs

6399874
7262899
7262958
7262959
32648170

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-methylcyclohexyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide (2S)-N-(4-methylcyclohexyl)-2-[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)	2.89	2.61	-15.42	1	4	0	46	317.355	4	↓ MOL2 SDF SMILES Flexibase

2782343

Analogs

6399874
7262899
7262958
7262959
32648170

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-methylcyclohexyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propionamide (2R)-N-(4-methylcyclohexyl)-2-[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)	2.89	2.6	-15.09	1	4	0	46	317.355	4	↓ MOL2 SDF SMILES Flexibase

2782362

Analogs

2780532

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Popular Name: 2-(4-bromo-5-methyl-pyrazol-1-yl)-N-(4-tert-butylcyclohexyl)acetamide 2-(4-bromo-5-methyl-pyrazol-1-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)	3.46	-0.16	-12.58	1	4	0	46	356.308	4	↓ MOL2 SDF SMILES Flexibase

2782384

Analogs

2780199
2781726

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Popular Name: 2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-(4-methylcyclohexyl)acetamide 2-[4-bromo-3-(difluoromethyl)-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)	2.91	0.2	-15.7	1	4	0	46	364.234	4	↓ MOL2 SDF SMILES Flexibase

2782544

Analogs

6527466
26771324
26771325
2776766
2776764

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Popular Name: (2S)-2-(4-bromo-3-methyl-pyrazol-1-yl)-N-cyclohexyl-propionamide (2S)-2-(4-bromo-3-methyl-pyrazol…

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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)	2.72	-1.16	-12.05	1	4	0	46	314.227	3	↓ MOL2 SDF SMILES Flexibase

2782545

Analogs

6527466
26771324
26771325
2776766
2776764

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-bromo-3-methyl-pyrazol-1-yl)-N-cyclohexyl-propionamide (2R)-2-(4-bromo-3-methyl-pyrazol…

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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)	2.72	-1.16	-12.2	1	4	0	46	314.227	3	↓ MOL2 SDF SMILES Flexibase

55475018

Analogs

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Popular Name: N-cyclohexyl-N-(2-hydroxyethyl)-2-(4-nitropyrazol-1-yl)acetamide N-cyclohexyl-N-(2-hydroxyethyl)-…

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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)	0.90	4.64	-17.9	1	8	0	104	296.327	6	↓ MOL2 SDF SMILES Flexibase

55475768

Analogs

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Popular Name: N-cyclohexyl-N-(2-hydroxyethyl)-2-pyrazol-1-yl-acetamide N-cyclohexyl-N-(2-hydroxyethyl)-…

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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)	1.01	3.88	-15.37	1	5	0	58	251.33	5	↓ MOL2 SDF SMILES Flexibase

55475772

Analogs

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Popular Name: N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide N-cyclohexyl-2-(3,5-dimethylpyra…

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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)	1.45	4.93	-14.52	1	5	0	58	279.384	5	↓ MOL2 SDF SMILES Flexibase

55476286

Analogs

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Popular Name: (2S)-N-cyclohexyl-N-(2-hydroxyethyl)-2-pyrazol-1-yl-propanamide (2S)-N-cyclohexyl-N-(2-hydroxyet…

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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)	1.37	4.02	-12.71	1	5	0	58	265.357	5	↓ MOL2 SDF SMILES Flexibase

55476289

Analogs

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Popular Name: (2R)-N-cyclohexyl-N-(2-hydroxyethyl)-2-pyrazol-1-yl-propanamide (2R)-N-cyclohexyl-N-(2-hydroxyet…

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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)	1.37	4.17	-12.52	1	5	0	58	265.357	5	↓ MOL2 SDF SMILES Flexibase

40346478

Analogs

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Popular Name: 4-[[2-(4-amino-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]cyclohexanecarboxamide 4-[[2-(4-amino-3,5-dimethyl-pyra…

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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)	-0.62	0.44	-19.46	5	7	0	116	293.371	4	↓ MOL2 SDF SMILES Flexibase

40346479

Analogs

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Popular Name: 4-[[2-(4-aminopyrazol-1-yl)acetyl]amino]cyclohexanecarboxamide 4-[[2-(4-aminopyrazol-1-yl)acety…

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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)	-1.06	-1.05	-23.8	5	7	0	116	265.317	4	↓ MOL2 SDF SMILES Flexibase

40445623

Analogs

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Popular Name: 2-(4-bromo-3-nitro-pyrazol-1-yl)-N-cyclohexyl-acetamide 2-(4-bromo-3-nitro-pyrazol-1-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)	2.22	6.65	-21.5	1	7	0	93	331.17	4	↓ MOL2 SDF SMILES Flexibase

70110259

Analogs

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Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(1R,2S,4S)-2,4-dimethylcyclohexyl]acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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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)	1.50	5.22	-13.2	3	5	0	73	278.4	3	↓ MOL2 SDF SMILES Flexibase

70110260

Analogs

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Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(1S,2S,4S)-2,4-dimethylcyclohexyl]acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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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)	1.50	4.84	-14.07	3	5	0	73	278.4	3	↓ MOL2 SDF SMILES Flexibase

70110261

Analogs

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Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(1R,2S,4R)-2,4-dimethylcyclohexyl]acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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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)	1.50	4.43	-13.91	3	5	0	73	278.4	3	↓ MOL2 SDF SMILES Flexibase

70110262

Analogs

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Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-[(1S,2S,4R)-2,4-dimethylcyclohexyl]acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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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)	1.50	4.6	-14.06	3	5	0	73	278.4	3	↓ MOL2 SDF SMILES Flexibase

70110263

Analogs

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[(1S,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)	1.06	4.13	-13.53	3	5	0	73	250.346	3	↓ MOL2 SDF SMILES Flexibase

70110264

Analogs

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[(1S,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)	1.06	3.34	-14.09	3	5	0	73	250.346	3	↓ MOL2 SDF SMILES Flexibase

70110265

Analogs

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[(1R,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)	1.06	3.75	-14.21	3	5	0	73	250.346	3	↓ MOL2 SDF SMILES Flexibase

70110266

Analogs

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-(4-aminopyrazol-1-yl)-N-[(1R,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)	1.06	3.51	-14.2	3	5	0	73	250.346	3	↓ MOL2 SDF SMILES Flexibase

70110383

Analogs

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Popular Name: 2-(3-aminopyrazol-1-yl)-N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-(3-aminopyrazol-1-yl)-N-[(1S,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)	1.25	5.13	-15.22	3	5	0	73	250.346	3	↓ MOL2 SDF SMILES Flexibase

70110384

Analogs

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Popular Name: 2-(3-aminopyrazol-1-yl)-N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-(3-aminopyrazol-1-yl)-N-[(1S,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)	1.25	4.34	-15.83	3	5	0	73	250.346	3	↓ MOL2 SDF SMILES Flexibase

70110385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminopyrazol-1-yl)-N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]acetamide 2-(3-aminopyrazol-1-yl)-N-[(1R,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)	1.25	4.75	-15.93	3	5	0	73	250.346	3	↓ MOL2 SDF SMILES Flexibase

70110386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminopyrazol-1-yl)-N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]acetamide 2-(3-aminopyrazol-1-yl)-N-[(1R,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)	1.25	4.51	-15.92	3	5	0	73	250.346	3	↓ MOL2 SDF SMILES Flexibase

49067166

Analogs

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Popular Name: N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide N-[(1R,2S,3S)-2,3-dimethylcycloh…

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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)	2.26	6.02	-14.35	1	4	0	47	249.358	3	↓ MOL2 SDF SMILES Flexibase

49067168

Analogs

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Popular Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide N-[(1S,2S,3S)-2,3-dimethylcycloh…

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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)	2.26	6.19	-14.27	1	4	0	47	249.358	3	↓ MOL2 SDF SMILES Flexibase

49067170

Analogs

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Popular Name: N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide N-[(1R,2S,3R)-2,3-dimethylcycloh…

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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)	2.26	6.83	-13.57	1	4	0	47	249.358	3	↓ MOL2 SDF SMILES Flexibase

49067172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-methylpyrazol-1-yl)acetamide N-[(1S,2S,3R)-2,3-dimethylcycloh…

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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)	2.26	6.43	-14.31	1	4	0	47	249.358	3	↓ MOL2 SDF SMILES Flexibase

49067174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide N-[(1R,2S,3S)-2,3-dimethylcycloh…

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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	6.37	-13.75	1	4	0	47	263.385	3	↓ MOL2 SDF SMILES Flexibase

49067176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide N-[(1S,2S,3S)-2,3-dimethylcycloh…

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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	6.54	-13.78	1	4	0	47	263.385	3	↓ MOL2 SDF SMILES Flexibase

49067178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide N-[(1R,2S,3R)-2,3-dimethylcycloh…

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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	7.17	-12.98	1	4	0	47	263.385	3	↓ MOL2 SDF SMILES Flexibase

49067180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide N-[(1S,2S,3R)-2,3-dimethylcycloh…

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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	6.77	-13.78	1	4	0	47	263.385	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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