User Information

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

ZINC44113831

• 44113831

Physical Representations

Activity (Go SEA)

• 44115155
  

  Analogs

  44115158

  

  44115161

  

  44115163

  

  44115236

  

  44115239

  

  Popular Name: (1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-yl-butan-1-ol (1R,2S)-3-methyl-1-phenyl-2-pyrr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61761811
    • 23249780

  • SureChEMBL

    • SCHEMBL4874899

  • Enamine BB Make on Demand

    • BBV-33439161

  • UORSY BB Make-on-demand

    • BBV-33439161

  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)	2.67	6.77	-30.68	2	2	1	25	234.363	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44115155
• 44119576
  

  Analogs

  44119580

  

  44119584

  

  44119589

  

  44119982

  

  44119986

  

  Popular Name: (1R,2S)-3-methyl-1-phenyl-2-(1-piperidyl)butan-1-ol (1R,2S)-3-methyl-1-phenyl-2-(1-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61763419
    • 23251231

  • Enamine BB Make on Demand

    • BBV-33439673

  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)	3.17	7.57	-30.24	2	2	1	25	248.39	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44119576
• 13825269
  

  Analogs

  44113825

  

  44113828

  

  44113831

  

  44114883

  

  44114886

  

  Popular Name: (1R,2S)-2-(4-benzyl-1-piperidyl)-1-phenyl-propan-1-ol (1R,2S)-2-(4-benzyl-1-piperidyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50007678

  • ChEMBL12

    • CHEMBL102242

  • ChEMBL12 10uM

    • CHEMBL102242

  • ChEMBL19

    • CHEMBL102242

  • PubChem

    • 13322460

  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)	4.06	10.85	-36.29	2	2	1	25	310.461	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13825269
• 13825271
  

  Analogs

  32213105

  

  32213108

  

  44113825

  

  44113828

  

  44113831

  

  Popular Name: (1S,2S)-2-(4-benzyl-1-piperidyl)-1-phenyl-propan-1-ol (1S,2S)-2-(4-benzyl-1-piperidyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50007673

  • ChEMBL12

    • CHEMBL321349

  • ChEMBL12 10uM

    • CHEMBL321349

  • ChEMBL19

    • CHEMBL321349

  • PubChem

    • 13322461

  And 2 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)	4.06	10.66	-34.55	2	2	1	25	310.461	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13825271