User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (3)
• Analogs (9)

ZINC36757288

• 36757288

Physical Representations

Activity (Go SEA)

• 49466157
  

  Analogs

  36757026

  

  36757027

  

  Popular Name: 4-(2,2-dimethylpropanoylamino)-N-methyl-cyclohexanecarboxamide 4-(2,2-dimethylpropanoylamino)-N…

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  Vendors

  • PubChem

    • 47469235

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.86	3.81	-13.26	2	4	0	58	240.347	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49466157
• 49466373
  

  Analogs

  36757026

  

  36757027

  

  Popular Name: 4-(cyclohexanecarbonylamino)-N-methyl-cyclohexanecarboxamide 4-(cyclohexanecarbonylamino)-N-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47469310

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	2.12	5.14	-13.03	2	4	0	58	266.385	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49466373
• 49475522
  

  Analogs

  41679644

  

  36757026

  

  Popular Name: N-methyl-4-[[(2R)-2-methylbutanoyl]amino]cyclohexanecarboxamide N-methyl-4-[[(2R)-2-methylbutano…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47469221

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.45	3.89	-13.14	2	4	0	58	240.347	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49475522
• 49475523
  

  Analogs

  41679644

  

  36757026

  

  Popular Name: N-methyl-4-[[(2S)-2-methylbutanoyl]amino]cyclohexanecarboxamide N-methyl-4-[[(2S)-2-methylbutano…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47469221

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.45	3.49	-16.03	2	4	0	58	240.347	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49475523
• 49475535
  

  Analogs

  41679644

  

  36757026

  

  Popular Name: N-methyl-4-(2-methylpropanoylamino)cyclohexanecarboxamide N-methyl-4-(2-methylpropanoylami…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47469223

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.95	2.85	-16.03	2	4	0	58	226.32	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49475535
• 1760647
  

  Analogs

  36757026

  

  36757027

  

  36757028

  

  36757029

  

  36757288

  

  Popular Name: 2-azabicyclo[2.2.2]octan-3-one 2-azabicyclo[2.2.2]octan-3-one

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 6203695

  • Molport

    • MolPort-002-365-239

  • Aldrich CPR

    • PH001109|ALDRICH

  • American Custom Chemicals Corp.

    • CHM0100347

  • Anward

    • ANW-58457

  And 22 More

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.58	1.67	-7.89	1	2	0	29	125.171	0	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01760647
• 399457
  

  Analogs

  36757186

  

  36757288

  

  36757290

  

  36757360

  

  39120614

  

  Popular Name: (4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (4aS,8aR)-3,4,4a,5,6,7,8,8a-octa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S782548|ALDRICH

  • TimTec

    • ST50554079

  • ChemDB

    • 6671548

  • PubChem

    • 317664

  • SureChEMBL

    • SCHEMBL2139719

  And 1 More

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.59	3.28	-6	1	2	0	29	153.225	0	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00399457
• 399458
  

  Analogs

  36757186

  

  36757288

  

  36757290

  

  36757360

  

  39120614

  

  Popular Name: (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (4aR,8aR)-3,4,4a,5,6,7,8,8a-octa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S782548|ALDRICH

  • TimTec

    • ST50554079

  • ChemDB

    • 6671548

  • PubChem

    • 12265803
    • 317664

  And 3 More

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.59	3.3	-6.75	1	2	0	29	153.225	0	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00399458
• 399459
  

  Analogs

  36757186

  

  36757288

  

  36757290

  

  36757360

  

  36757423

  

  Popular Name: (4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (4aS,8aS)-3,4,4a,5,6,7,8,8a-octa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S782548|ALDRICH

  • TimTec

    • ST50554079

  • ChemDB

    • 6671548

  • PubChem

    • 67592240
    • 317664

  And 3 More

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.59	3.3	-6.75	1	2	0	29	153.225	0	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00399459