User Information

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

ZINC36999488

• 36999488

Physical Representations

Activity (Go SEA)

• 13735978
  

  Analogs

  13735981

  

  36999487

  

  36999488

  

  36999489

  

  36999507

  

  Popular Name: (2S)-1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine (2S)-1-(4-bromophenyl)-N-(3-phen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50006975

  • ChEMBL12

    • CHEMBL19802

  • ChEMBL12 10uM

    • CHEMBL19802

  • ChEMBL19

    • CHEMBL19802

  • PubChem

    • 15061898

  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)	5.36	11.85	-42.05	2	1	1	17	333.293	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13735978
• 13735981
  

  Analogs

  36999487

  

  36999488

  

  36999489

  

  36999507

  

  36999508

  

  Popular Name: (2R)-1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine (2R)-1-(4-bromophenyl)-N-(3-phen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50006975

  • ChEMBL12

    • CHEMBL19802

  • ChEMBL12 10uM

    • CHEMBL19802

  • ChEMBL19

    • CHEMBL19802

  • PubChem

    • 18790284

  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)	5.36	11.86	-42.05	2	1	1	17	333.293	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13735981
• 3732346
  

  Analogs

  4293878

  

  36999487

  

  36999488

  

  36999489

  

  36999507

  

  Popular Name: 2-(4-Bromobenzyl)pyrrolidine 2-(4-Bromobenzyl)pyrrolidine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30179773

  • Molport

    • MolPort-003-737-446

  • AK Scientific

    • 4941AB

  • Anward

    • ANW-63776

  • Apexmol Building Blocks

    • AM20120459

  And 23 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)	3.10	-1.22	-39.2	2	1	1	16	241.152	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03732346
• 3732347
  

  Analogs

  4293878

  

  36999487

  

  36999488

  

  36999489

  

  36999507

  

  Popular Name: 2-(4-Bromobenzyl)pyrrolidine 2-(4-Bromobenzyl)pyrrolidine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30179773

  • Molport

    • MolPort-003-737-446

  • AK Scientific

    • 4941AB

  • Anward

    • ANW-63776

  • Apexmol Building Blocks

    • AM20120459

  And 23 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)	3.10	-1.14	-38.18	2	1	1	16	241.152	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03732347