User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (2)
• Analogs (5)

ZINC37110092

• 37110092

Physical Representations

Activity (Go SEA)

• 22029083
  

  Analogs

  37082216

  

  37082217

  

  37095009

  

  37110092

  

  37110093

  

  Popular Name: (1-Biphenyl-4-yl-2-pyyrolidin-1-yl-ethyl)-methyl-amine (1-Biphenyl-4-yl-2-pyyrolidin-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-002-345-438

  • Ark Pharm Building Blocks

    • AK-90961

  • Chembo Pharma

    • KB-205071

  • Fluorochem

    • 011503

  • Molport BB

    • MolPort-002-345-438

  And 11 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)	3.91	10.03	-33.43	2	2	1	16	281.423	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22029083
• 22464818
  

  Analogs

  37082216

  

  37082217

  

  37095009

  

  37110092

  

  37110093

  

  Popular Name: (1-Biphenyl-4-yl-2-pyyrolidin-1-yl-ethyl)-methyl-amine (1-Biphenyl-4-yl-2-pyyrolidin-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-002-345-438

  • Ark Pharm Building Blocks

    • AK-90961

  • Chembo Pharma

    • KB-205071

  • Fluorochem

    • 011503

  • Molport BB

    • MolPort-002-345-438

  And 11 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)	3.91	10.01	-35.92	2	2	1	16	281.423	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22464818
• 23067454
  

  Analogs

  34679393

  

  34679394

  

  36664796

  

  36664797

  

  36785087

  

  Popular Name: (1S)-2-[(2R)-2-methyl-1-piperidyl]-1-(p-tolyl)ethanamine (1S)-2-[(2R)-2-methyl-1-piperidy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30815059

  • UORSY BB Make-on-demand

    • BBV-025275

  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)	1.14	7.39	-34.49	3	2	1	30	233.379	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.14	7.74	-119.69	4	2	2	32	234.387	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC23067454
• 19230057
  

  Analogs

  21807729

  

  21807732

  

  21813333

  

  21813334

  

  34679428

  

  Popular Name: N-(2-amino-2-phenylethyl)-N,N-diethylamine N-(2-amino-2-phenylethyl)-N,N-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2865854

  • Molport

    • MolPort-002-468-504

  • Enamine

    • Z85923461

  • Enamine Building Blocks

    • EN300-12594

  • Mcule

    • MCULE-5643312617

  And 13 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)	0.21	5.82	-32.73	3	2	1	30	193.314	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.21	4.15	-41.18	3	2	1	31	193.314	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19230057
• 19230059
  

  Analogs

  21807729

  

  21807732

  

  21813333

  

  21813334

  

  34679428

  

  Popular Name: N-(2-amino-2-phenylethyl)-N,N-diethylamine N-(2-amino-2-phenylethyl)-N,N-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2865854

  • Molport

    • MolPort-002-468-504

  • Enamine

    • Z85923461

  • Enamine Building Blocks

    • EN300-12594

  • Mcule

    • MCULE-5643312617

  And 13 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)	0.21	5.95	-30.31	3	2	1	30	193.314	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.21	4.49	-40.98	3	2	1	31	193.314	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19230059