User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (6)

ZINC44131508

• 44131508

Physical Representations

Activity (Go SEA)

• 14983235
  

  Analogs

  34017295

  

  34027751

  

  34347117

  

  34347118

  

  44112493

  

  Popular Name: (1S,2R)-2-(methyl-pentyl-amino)-1-phenyl-propan-1-ol (1S,2R)-2-(methyl-pentyl-amino)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 26338791

  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)	3.43	7.65	-34.68	2	2	1	25	236.379	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14983235
• 34017295
  

  Analogs

  44112493

  

  44112497

  

  44112813

  

  44112817

  

  44112889

  

  Popular Name: LS-115458 LS-115458

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Leadscope via PubChem

    • LS-115458

  • PubChem

    • 59057789
    • 12610243
    • 24842686
    • 9899310

  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)	2.39	6.48	-32.4	2	2	1	25	220.336	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34017295
• 34027751
  

  Analogs

  44112493

  

  44112497

  

  44112813

  

  44112817

  

  44112889

  

  Popular Name: LS-115458 LS-115458

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Leadscope via PubChem

    • LS-115458

  • PubChem

    • 12610243
    • 24842686
    • 9920854

  • SureChEMBL

    • SCHEMBL2712934

  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)	2.39	6.22	-29.64	2	2	1	25	220.336	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34027751
• 44119512
  

  Analogs

  44119675

  

  44119678

  

  44119682

  

  44119686

  

  44119784

  

  Popular Name: LS-115458 LS-115458

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Leadscope via PubChem

    • LS-115458

  • PubChem

    • 59057789
    • 12610243
    • 24842686

  • SureChEMBL

    • SCHEMBL2712934

  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)	2.39	6.37	-31.15	2	2	1	25	220.336	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44119512
• 44119508
  

  Analogs

  44119512

  

  44119675

  

  44119678

  

  44119682

  

  44119686

  

  Popular Name: LS-115458 LS-115458

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Leadscope via PubChem

    • LS-115458

  • PubChem

    • 12610243
    • 24842686

  • SureChEMBL

    • SCHEMBL2712934

  • Enamine BB Make on Demand

    • BBV-33439662

  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)	2.39	6.54	-32.39	2	2	1	25	220.336	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44119508
• 1759116
  

  Analogs

  3630963

  

  3630965

  

  3630966

  

  3630967

  

  3632722

  

  Popular Name: LS-43108 LS-43108

  Find On: PubMed — Wikipedia — Google

  Vendors

  • IBScreen NP

    • STOCK1N-26612

  • Mcule

    • MCULE-1339916903

  • Pharmeks

    • PHAR015685

  • Synchem UG and Co KG

    • rt038

  • ChemMol

    • 51501854

  And 10 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)	3.43	0.52	-34.69	2	2	1	24	236.379	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01759116