User Information

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

ZINC37804501

• 37804501

Physical Representations

Activity (Go SEA)

• 37507257
  

  Analogs

  37801471

  

  37801472

  

  37801479

  

  37801480

  

  37804500

  

  Popular Name: 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide hydrochloride 2-amino-N-[(2-fluorophenyl)methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 44464543

  • Molport

    • MolPort-023-313-761

  • Enamine Building Blocks

    • EN300-115605
    • EN300-115581

  • Ryan Scientific BB

    • 047-83558

  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)	1.48	5.02	-41.64	3	3	1	48	239.314	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.48	4.73	-5.22	2	3	0	46	238.306	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37507257
• 37507256
  

  Analogs

  37801471

  

  37801472

  

  37801479

  

  37801480

  

  37804500

  

  Popular Name: 2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide hydrochloride 2-amino-N-[(2-fluorophenyl)methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 44464543

  • Molport

    • MolPort-023-313-761

  • Enamine Building Blocks

    • EN300-115605
    • EN300-115581

  • Ryan Scientific BB

    • 047-83558

  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)	1.48	5.03	-41.13	3	3	1	48	239.314	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.48	4.7	-6.62	2	3	0	46	238.306	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37507256
• 37507259
  

  Analogs

  37801810

  

  37801811

  

  37801822

  

  37801823

  

  37802989

  

  Popular Name: (2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methyl-pentanamide (2R)-2-amino-N-[(4-fluorophenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43650343

  • Enamine BB Make on Demand

    • BBV-32058771

  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)	1.53	5.21	-44.78	3	3	1	48	239.314	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.53	4.87	-8.68	2	3	0	46	238.306	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37507259
• 37507258
  

  Analogs

  37801810

  

  37801811

  

  37801822

  

  37801823

  

  37802989

  

  Popular Name: (2S)-2-amino-N-[(4-fluorophenyl)methyl]-N-methyl-pentanamide (2S)-2-amino-N-[(4-fluorophenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43650343

  • Enamine BB Make on Demand

    • BBV-32058771

  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)	1.53	5.22	-44	3	3	1	48	239.314	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.53	4.93	-7.42	2	3	0	46	238.306	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37507258
• 36134934
  

  Analogs

  37801460

  

  37801461

  

  37801462

  

  37801463

  

  37801481

  

  Popular Name: (2S,3R)-2-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethyl-pentanamide (2S,3R)-2-amino-N-[(2-fluorophen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61173348
    • 43579172

  • Enamine BB Make on Demand

    • BBV-32513885

  • UORSY BB Make-on-demand

    • BBV-32513885

  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)	1.67	5.49	-40.75	3	3	1	48	253.341	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.67	5.18	-6.34	2	3	0	46	252.333	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36134934
• 36134936
  

  Analogs

  37801460

  

  37801461

  

  37801462

  

  37801463

  

  37801481

  

  Popular Name: (2S,3S)-2-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethyl-pentanamide (2S,3S)-2-amino-N-[(2-fluorophen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61173348
    • 61155254
    • 43579172

  • Enamine BB Make on Demand

    • BBV-32513885

  • UORSY BB Make-on-demand

    • BBV-32513885

  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)	1.67	5.65	-41.36	3	3	1	48	253.341	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.67	5.33	-6.51	2	3	0	46	252.333	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36134936
• 36134937
  

  Analogs

  37801460

  

  37801461

  

  37801462

  

  37801463

  

  37801481

  

  Popular Name: (2R,3R)-2-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethyl-pentanamide (2R,3R)-2-amino-N-[(2-fluorophen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43579172

  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)	1.67	5.46	-42.65	3	3	1	48	253.341	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.67	5.18	-5.29	2	3	0	46	252.333	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36134937
• 36134939
  

  Analogs

  37801460

  

  37801461

  

  37801462

  

  37801463

  

  37801481

  

  Popular Name: (2R,3S)-2-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethyl-pentanamide (2R,3S)-2-amino-N-[(2-fluorophen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43579172

  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)	1.67	5.51	-41.41	3	3	1	48	253.341	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.67	5.19	-4.96	2	3	0	46	252.333	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36134939
• 36134946
  

  Analogs

  37801465

  

  37801466

  

  37804492

  

  37804493

  

  37804500

  

  Popular Name: 2-amino-N-[(2-fluorophenyl)methyl]-N,4-dimethylpentanamide hydrochloride 2-amino-N-[(2-fluorophenyl)methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 44465134

  • Molport

    • MolPort-023-314-108

  • Enamine Building Blocks

    • EN300-117580
    • EN300-149929

  • Ryan Scientific BB

    • 047-84448

  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)	1.69	5.53	-41.38	3	3	1	48	253.341	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.69	5.24	-5.17	2	3	0	46	252.333	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36134946