User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC21812259

• 21812259

Physical Representations

Activity (Go SEA)

• 52074355
  

  Analogs

  21796121

  

  21796125

  

  Popular Name: N-[(1S)-1-(2-fluorophenyl)ethyl]-N,2-dimethyl-propan-1-amine N-[(1S)-1-(2-fluorophenyl)ethyl]…

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  Vendors

  None

  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)	3.54	9	-31.82	1	1	1	4	210.316	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.54	7.63	-2.32	0	1	0	3	209.308	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52074355
• 52074356
  

  Analogs

  21796121

  

  21796125

  

  Popular Name: N-[(1R)-1-(2-fluorophenyl)ethyl]-N,2-dimethyl-propan-1-amine N-[(1R)-1-(2-fluorophenyl)ethyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  None

  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)	3.54	9.1	-32.18	1	1	1	4	210.316	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.54	7.52	-2.31	0	1	0	3	209.308	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC52074356
• 19201266
  

  Analogs

  21798762

  

  21798767

  

  21798771

  

  21798774

  

  21801322

  

  Popular Name: (1R,2S)-N-[(2-fluorophenyl)methyl]-2-methyl-cyclohexan-1-amine (1R,2S)-N-[(2-fluorophenyl)methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY Make-on-demand

    • PB86226203

  • PubChem

    • 43178768
    • 28093913

  • Ambinter

    • Amb2608178

  • Enamine BB Make on Demand

    • BBV-132830

  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)	3.76	8.34	-35.86	2	1	1	17	222.327	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19201266
• 4554360
  

  Analogs

  8497393

  

  8534887

  

  21812256

  

  21812257

  

  21812258

  

  Popular Name: N-[(2-fluorophenyl)methyl]adamantan-2-amine N-[(2-fluorophenyl)methyl]adaman…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK363103

  • eMolecules

    • 46478494
    • 17023548

  • Molport

    • MolPort-000-938-166

  • Molport BB

    • MolPort-000-938-166

  And 10 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)	4.38	0.7	-35.84	2	1	1	16	260.376	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04554360
• 8497393
  

  Analogs

  8534887

  

  21812256

  

  21812257

  

  21812258

  

  21812259

  

  Popular Name: 1-(1-adamantyl)-N-[(2-fluorophenyl)methyl]ethanamine 1-(1-adamantyl)-N-[(2-fluorophen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-000-938-106

  • Molport BB

    • MolPort-000-938-106

  • ZereneX Building Blocks

    • E/7084363

  • Scientific Exchange (make on demand)

    • M-875269

  • ChemDB

    • 7104583

  And 4 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)	4.88	1.28	-37.57	2	1	1	16	288.43	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08497393