User Information

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

ZINC37798305

• 37798305

Physical Representations

Activity (Go SEA)

• 40429425
  

  Analogs

  37798305

  

  37798306

  

  Popular Name: (2S)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide (2S)-N-[[4-(trifluoromethoxy)phe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50314620

  • ChEMBL12

    • CHEMBL1090399

  • ChEMBL12 10uM

    • CHEMBL1090399

  • ChEMBL19

    • CHEMBL1090399

  • PubChem

    • 60711876

  And 5 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)	1.96	3.67	-38.67	3	4	1	55	289.277	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40429425
• 35411962
  

  Analogs

  37798290

  

  37798305

  

  37798306

  

  45675380

  

  Popular Name: 5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-pentanamide 5-chloro-N-[[4-(difluoromethoxy)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43470697

  • UORSY BB Make-on-demand

    • BBV-23466657

  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)	3.33	8.18	-12.28	0	3	0	30	305.752	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35411962
• 36872752
  

  Analogs

  37797835

  

  37797836

  

  37797837

  

  37797838

  

  37797840

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43650059

  • Enamine BB Make on Demand

    • BBV-27080932

  • UORSY BB Make-on-demand

    • BBV-27080932

  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)	1.18	2.5	-44.49	4	4	1	66	237.323	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.18	2.2	-6.6	3	4	0	64	236.315	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36872752