User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC37873761

• 37873761

Physical Representations

Activity (Go SEA)

• 32116192
  

  Analogs

  32116193

  

  32116194

  

  32116195

  

  37873751

  

  37873752

  

  Popular Name: (2R)-1-amino-3-[2-chloro-5-(trifluoromethyl)anilino]propan-2-ol (2R)-1-amino-3-[2-chloro-5-(trif…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39367345

  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)	1.46	0.76	-52.59	5	3	1	60	269.674	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.46	0.37	-5.2	4	3	0	58	268.666	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32116192
• 32116193
  

  Analogs

  32116194

  

  32116195

  

  37873751

  

  37873752

  

  37873753

  

  Popular Name: (2S)-1-amino-3-[2-chloro-5-(trifluoromethyl)anilino]propan-2-ol (2S)-1-amino-3-[2-chloro-5-(trif…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39367347

  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)	1.46	0.73	-52.51	5	3	1	60	269.674	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.46	0.15	-4.61	4	3	0	58	268.666	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32116193
• 32108101
  

  Analogs

  32116192

  

  32116193

  

  37873751

  

  37873752

  

  37873753

  

  Popular Name: (2R)-1-[2-chloro-5-(trifluoromethyl)anilino]propan-2-ol (2R)-1-[2-chloro-5-(trifluoromet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60885177
    • 39356768

  • Enamine BB Make on Demand

    • BBV-32080913

  • UORSY BB Make-on-demand

    • BBV-32080913

  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)	3.03	3.34	-4.68	2	2	0	32	253.651	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32108101
• 32108102
  

  Analogs

  32116192

  

  32116193

  

  37873751

  

  37873752

  

  37873753

  

  Popular Name: (2S)-1-[2-chloro-5-(trifluoromethyl)anilino]propan-2-ol (2S)-1-[2-chloro-5-(trifluoromet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60885177
    • 39356769

  • Enamine BB Make on Demand

    • BBV-32080913

  • UORSY BB Make-on-demand

    • BBV-32080913

  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)	3.03	3.23	-4.69	2	2	0	32	253.651	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32108102