User Information

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

ZINC34658966

• 34658966

Physical Representations

Activity (Go SEA)

• 19813283
  

  Analogs

  34655712

  

  34655714

  

  34656690

  

  34656692

  

  34658432

  

  Popular Name: (3R)-3-[2-[(1S)-1-aminoethyl]phenoxy]azepan-2-one (3R)-3-[2-[(1S)-1-aminoethyl]phe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43185820
    • 28375894

  • Enamine BB Make on Demand

    • BBV-098518

  • UORSY BB Make-on-demand

    • BBV-098518
    • BBV-37375519

  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)	-0.19	3.07	-56.12	4	4	1	66	249.334	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19813283
• 19813285
  

  Analogs

  34655712

  

  34655714

  

  34656690

  

  34656692

  

  34658432

  

  Popular Name: (3S)-3-[2-[(1R)-1-aminoethyl]phenoxy]azepan-2-one (3S)-3-[2-[(1R)-1-aminoethyl]phe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 63367063
    • 43185820
    • 28375896

  • Enamine BB Make on Demand

    • BBV-098518

  • UORSY BB Make-on-demand

    • BBV-098518

  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)	-0.19	3.05	-55.93	4	4	1	66	249.334	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19813285
• 20483436
  

  Analogs

  34655712

  

  34655714

  

  34658432

  

  34658434

  

  34658654

  

  Popular Name: (3S)-3-[2-(aminomethyl)-4-bromo-phenoxy]azepan-2-one (3S)-3-[2-(aminomethyl)-4-bromo-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43125683
    • 28981678

  • UORSY BB Make-on-demand

    • BBV-241094

  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)	1.92	2.96	-57.2	4	4	1	66	314.203	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.92	2.57	-7.58	3	4	0	64	313.195	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20483436
• 12099328
  

  Analogs

  12099329

  

  12099331

  

  12099332

  

  34658814

  

  34658966

  

  Popular Name: [(2R)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[(2S)-tetrahydrofuran-2-yl]methanone [(2R)-2-butyl-3,5-dihydro-2H-1,4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20412558

  • Molport

    • MolPort-005-007-165

  • Collaborative Drug Discovery

    • 583983

  • PubChem

    • 45173338
    • 42406882

  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)	3.24	0.16	-12.3	0	4	0	39	303.402	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12099328
• 12099329
  

  Analogs

  12099331

  

  12099332

  

  34658654

  

  34658966

  

  34658968

  

  Popular Name: [(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[(2S)-tetrahydrofuran-2-yl]methanone [(2S)-2-butyl-3,5-dihydro-2H-1,4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20412558

  • Molport

    • MolPort-005-007-165

  • Collaborative Drug Discovery

    • 583983

  • PubChem

    • 45173338
    • 42406883

  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)	3.24	0.03	-12.33	0	4	0	39	303.402	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12099329
• 12099331
  

  Analogs

  12099332

  

  34658814

  

  34658966

  

  34658968

  

  34659135

  

  Popular Name: [(2R)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[(2R)-tetrahydrofuran-2-yl]methanone [(2R)-2-butyl-3,5-dihydro-2H-1,4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20412558

  • Molport

    • MolPort-005-007-165

  • Collaborative Drug Discovery

    • 583983

  • PubChem

    • 45173338
    • 42406885

  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)	3.24	0.05	-11.83	0	4	0	39	303.402	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12099331