User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (3)
• Analogs (10)

ZINC37083860

• 37083860

Physical Representations

Activity (Go SEA)

• 40024981
  

  Analogs

  42165802

  

  42165806

  

  42165807

  

  42166598

  

  42167226

  

  Popular Name: 3-[cyclohexyl(methyl)amino]-N-phenyl-propanamide 3-[cyclohexyl(methyl)amino]-N-ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30240662

  • Enamine

    • Z220000430

  • Mcule

    • MCULE-6920543798

  • PubChem

    • 51928871
    • 45863039

  And 2 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)	3.32	8.51	-41.68	2	3	1	34	261.389	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40024981
• 22219419
  

  Analogs

  36788504

  

  36789857

  

  37082789

  

  37082790

  

  37083860

  

  Popular Name: N-(2-aminophenyl)-3-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]propanamide N-(2-aminophenyl)-3-[(2S)-2-(2-h…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30119231
    • 16791105

  • AKOS (make-on-demand)

    • AKOS000145330

  • Enamine BB Make on Demand

    • BBV-031456

  • UORSY BB Make-on-demand

    • BBV-031456

  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)	1.39	3.05	-46.29	5	5	1	80	292.403	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22219419
• 22219416
  

  Analogs

  36788504

  

  36789857

  

  37082789

  

  37082790

  

  37083860

  

  Popular Name: N-(2-aminophenyl)-3-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]propanamide N-(2-aminophenyl)-3-[(2R)-2-(2-h…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30119227
    • 16791105

  • AKOS (make-on-demand)

    • AKOS000145330

  • Enamine BB Make on Demand

    • BBV-031456

  • UORSY BB Make-on-demand

    • BBV-031456

  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)	1.39	3.31	-48.17	5	5	1	80	292.403	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22219416
• 27846259
  

  Analogs

  36782999

  

  36783000

  

  36789857

  

  37083860

  

  42166670

  

  Popular Name: LS-139071 LS-139071

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL163987

  • ChEMBL19

    • CHEMBL163987

  • Leadscope via PubChem

    • LS-139073
    • LS-139071

  • PubChem

    • 13217341

  And 2 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)	1.72	3.16	-6.63	3	4	0	58	259.353	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC27846259
• 4579030
  

  Analogs

  33995674

  

  36789851

  

  36789857

  

  37082777

  

  37082778

  

  Popular Name: 1-Piperidinepropionanilide, beta,2-dimethyl-; BRN 0187339; LS-116123; beta,2-Dimethyl-1-piperidinepropionanilide; beta,2-Dimethyl-N-phenyl-1-piperidinepropionamide; beta-(2-Methylpiperidino)-n-butyric acid anilide 1-Piperidinepropionanilide, beta…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S421715|ALDRICH

  • TimTec

    • ST50443717

  • ChemDB

    • 6659888

  • Leadscope via PubChem

    • LS-116123

  • PubChem

    • 44722411

  And 2 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)	4.21	0.84	-31.18	2	3	1	33	261.389	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04579030
• 4579029
  

  Analogs

  4579030

  

  33995674

  

  36789851

  

  36789857

  

  37082777

  

  Popular Name: 1-Piperidinepropionanilide, beta,2-dimethyl-; BRN 0187339; LS-116123; beta,2-Dimethyl-1-piperidinepropionanilide; beta,2-Dimethyl-N-phenyl-1-piperidinepropionamide; beta-(2-Methylpiperidino)-n-butyric acid anilide 1-Piperidinepropionanilide, beta…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S421715|ALDRICH

  • TimTec

    • ST50443717

  • ChemDB

    • 6659888

  • Leadscope via PubChem

    • LS-116123

  • PubChem

    • 44722411

  And 2 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)	4.21	0.68	-30.92	2	3	1	33	261.389	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04579029
• 4776084
  

  Analogs

  6357634

  

  6358323

  

  36782993

  

  36782994

  

  36782999

  

  Popular Name: 3-(2-ethylaziridin-1-yl)-N-phenyl-propanamide 3-(2-ethylaziridin-1-yl)-N-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5169488

  • PubChem

    • 294143

  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)	2.14	-0.14	-39.94	2	3	1	36	219.308	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04776084
• 1623515
  

  Analogs

  6357634

  

  6358323

  

  36782993

  

  36782994

  

  36782999

  

  Popular Name: 3-[(2S)-2-ethylethylenimin-1-ium-1-yl]-N-phenyl-propionamide 3-[(2S)-2-ethylethylenimin-1-ium…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5169488

  • PubChem

    • 294143

  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)	2.14	-0.15	-39.94	2	3	1	36	219.308	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01623515
• 22212884
  

  Analogs

  36782999

  

  36783000

  

  36786549

  

  36786550

  

  36788504

  

  Popular Name: (3R)-1-[3-[(2-aminophenyl)amino]-3-oxo-propyl]piperidine-3-carboxamide (3R)-1-[3-[(2-aminophenyl)amino]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30113730
    • 16788588

  • Enamine BB Make on Demand

    • BBV-028393

  • UORSY BB Make-on-demand

    • BBV-028393

  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)	0.36	2.17	-56.43	6	6	1	103	291.375	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22212884
• 35764912
  

  Analogs

  37083860

  

  Popular Name: N-(2-aminophenyl)-3-[cyclopentyl(ethyl)amino]propanamide N-(2-aminophenyl)-3-[cyclopentyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43540681

  • Enamine BB Make on Demand

    • BBV-25166992

  • UORSY BB Make-on-demand

    • BBV-25166992

  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)	2.63	6.56	-41.06	4	4	1	60	276.404	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35764912