User Information

• Synonyms (0)
• Vendors (0)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC32131872

• 32131872

Physical Representations

Activity (Go SEA)

• 49808091
  

  Analogs

  32106936

  

  Popular Name: 3-(4-methoxyphenyl)azetidin-3-ol 3-(4-methoxyphenyl)azetidin-3-ol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL1165161

  • ChEMBL19

    • CHEMBL1165161

  • PubChem

    • 46907353

  • SureChEMBL

    • SCHEMBL3024680

  • Enamine BB Make on Demand

    • BBV-40290169

  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)	1.04	0.38	-42.13	3	3	1	46	180.227	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.04	-1.32	-5.93	2	3	0	41	179.219	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC49808091
• 22062559
  

  Analogs

  22062562

  

  32108714

  

  32108715

  

  32108732

  

  32108733

  

  Popular Name: (1S)-1-(4-benzyloxyphenyl)-2-(methylamino)ethanol (1S)-1-(4-benzyloxyphenyl)-2-(me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Toronto Research Chemicals

    • M285707

  • Otava (Virtual)

    • 1400772

  • PubChem

    • 13358341
    • 29983309
    • 45039750

  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)	2.56	5.25	-41.98	3	3	1	46	258.341	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.56	3.68	-7.07	2	3	0	41	257.333	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22062559
• 22062562
  

  Analogs

  32108714

  

  32108715

  

  32108732

  

  32108733

  

  32110242

  

  Popular Name: (1R)-1-(4-benzyloxyphenyl)-2-(methylamino)ethanol (1R)-1-(4-benzyloxyphenyl)-2-(me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Toronto Research Chemicals

    • M285707

  • Otava (Virtual)

    • 1400772

  • PubChem

    • 13358341
    • 29983312
    • 45039750

  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)	2.56	5.3	-41.8	3	3	1	46	258.341	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.56	3.81	-5.98	2	3	0	41	257.333	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22062562