User Information

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

ZINC00129630

• 129630

Physical Representations

Activity (Go SEA)

• 34981160
  

  Analogs

  34981161

  

  34981162

  

  37322662

  

  37322664

  

  129630

  

  Popular Name: 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-fluorophenyl)propan-1-one 3-[(2S,6R)-2,6-dimethylmorpholin…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43219059

  • Enamine BB Make on Demand

    • BBV-27098424

  • UORSY BB Make-on-demand

    • BBV-27098424

  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)	2.50	5.79	-7.64	0	3	0	30	265.328	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.50	8.06	-46.69	1	3	1	31	266.336	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34981160
• 34981161
  

  Analogs

  34981162

  

  37322662

  

  37322664

  

  129630

  

  20421327

  

  Popular Name: 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-fluorophenyl)propan-1-one 3-[(2S,6S)-2,6-dimethylmorpholin…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43219059

  • Enamine BB Make on Demand

    • BBV-27098424

  • UORSY BB Make-on-demand

    • BBV-27098424

  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)	2.50	6.08	-7.53	0	3	0	30	265.328	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.50	8.04	-45.76	1	3	1	31	266.336	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34981161
• 34981162
  

  Analogs

  37322662

  

  37322664

  

  129630

  

  20421327

  

  Popular Name: 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-fluorophenyl)propan-1-one 3-[(2R,6R)-2,6-dimethylmorpholin…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43219059

  • Enamine BB Make on Demand

    • BBV-27098424

  • UORSY BB Make-on-demand

    • BBV-27098424

  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)	2.50	6.08	-7.56	0	3	0	30	265.328	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.50	8.03	-45.82	1	3	1	31	266.336	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34981162
• 39645104
  

  Analogs

  23549869

  

  Popular Name: (2S)-1-(3-fluorophenyl)-2-methyl-3-morpholino-propan-1-one (2S)-1-(3-fluorophenyl)-2-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 13422051
    • 23172509

  • SureChEMBL

    • SCHEMBL9169943
    • SCHEMBL9171107

  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)	2.22	5.18	-9.19	0	3	0	30	251.301	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.22	7.17	-45.49	1	3	1	31	252.309	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39645104
• 39645105
  

  Analogs

  23549869

  

  Popular Name: (2R)-1-(3-fluorophenyl)-2-methyl-3-morpholino-propan-1-one (2R)-1-(3-fluorophenyl)-2-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 13422051
    • 23172509

  • SureChEMBL

    • SCHEMBL9169943
    • SCHEMBL9171107

  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)	2.22	5.18	-9.01	0	3	0	30	251.301	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.22	7.21	-40.52	1	3	1	31	252.309	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39645105
• 42459811
  

  Analogs

  129630

  

  20421327

  

  Popular Name: 1-(4-fluorophenyl)-3-[2-methoxyethyl(methyl)amino]propan-1-one 1-(4-fluorophenyl)-3-[2-methoxye…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61427318

  • Enamine BB Make on Demand

    • BBV-32885939

  • UORSY BB Make-on-demand

    • BBV-32885939

  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)	1.91	6.95	-42.06	1	3	1	31	240.298	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42459811