User Information

• Synonyms (0)
• Vendors (1)
• Annotations (0)
• Representations (4)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC43261357

• 43261357

Physical Representations

Activity (Go SEA)

• 43258729
  

  Analogs

  43258732

  

  43258735

  

  43258738

  

  43258771

  

  43258774

  

  Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-1-(1-piperidyl)propan-2-amine (1S,2S)-1-(5-bromo-2-thienyl)-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61628367

  • Enamine BB Make on Demand

    • BBV-33293254
    • BBV-37107780

  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)	2.87	4.37	-43	3	2	1	31	304.277	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	6.6	-33.1	3	2	1	30	304.277	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	4.08	-1.97	2	2	0	29	303.269	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43258729
• 43258732
  

  Analogs

  43258735

  

  43258738

  

  43258771

  

  43258774

  

  43258776

  

  Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-1-(1-piperidyl)propan-2-amine (1S,2R)-1-(5-bromo-2-thienyl)-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61628367

  • Enamine BB Make on Demand

    • BBV-33293254
    • BBV-37107780

  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)	2.87	4.3	-45.24	3	2	1	31	304.277	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	6.38	-32.77	3	2	1	30	304.277	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	4.61	-1.47	2	2	0	29	303.269	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43258732
• 43258735
  

  Analogs

  43258738

  

  43258771

  

  43258774

  

  43258776

  

  43258778

  

  Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-1-(1-piperidyl)propan-2-amine (1R,2S)-1-(5-bromo-2-thienyl)-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61628367

  • Enamine BB Make on Demand

    • BBV-33293254
    • BBV-37107780

  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)	2.87	4.94	-44.57	3	2	1	31	304.277	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	6.34	-32.79	3	2	1	30	304.277	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	4.57	-1.05	2	2	0	29	303.269	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43258735
• 43258738
  

  Analogs

  43258771

  

  43258774

  

  43258776

  

  43258778

  

  43258781

  

  Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-1-(1-piperidyl)propan-2-amine (1R,2R)-1-(5-bromo-2-thienyl)-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61628367

  • Enamine BB Make on Demand

    • BBV-33293254
    • BBV-37107780

  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)	2.87	5	-38.14	3	2	1	31	304.277	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	6.63	-33.31	3	2	1	30	304.277	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	4.59	-1.12	2	2	0	29	303.269	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43258738
• 19389255
  

  Analogs

  38001617

  

  38001618

  

  38001705

  

  38001706

  

  38001805

  

  Popular Name: (1R)-N-benzyl-1-(5-bromo-2-thienyl)-N-methyl-ethane-1,2-diamine (1R)-N-benzyl-1-(5-bromo-2-thien…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20119273
    • 28151017

  • Enamine BB Make on Demand

    • BBV-33132817

  • UORSY BB Make-on-demand

    • BBV-33132817

  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)	2.96	6.38	-45.41	3	2	1	31	326.283	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.96	5.46	-3.03	2	2	0	29	325.275	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19389255