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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC43985322

• 43985322

Physical Representations

Activity (Go SEA)

• 43803065
  

  Analogs

  43984868

  

  43984872

  

  43985113

  

  43985117

  

  43985322

  

  Popular Name: (4aS,7aS)-4-[[(2S)-morpholin-2-yl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aS,7aS)-4-[[(2S)-morpholin-2-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-38813172

  • UORSY BB Make-on-demand

    • BBV-38813172

  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)	0.34	0.98	-42.92	2	4	1	38	227.328	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.34	-0.39	-3.97	1	4	0	34	226.32	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.34	1.94	-31.22	2	4	1	35	227.328	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43803065
• 43803062
  

  Analogs

  43984868

  

  43984872

  

  43985113

  

  43985117

  

  43985322

  

  Popular Name: (4aR,7aS)-4-[[(2S)-morpholin-2-yl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aR,7aS)-4-[[(2S)-morpholin-2-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-38813172

  • UORSY BB Make-on-demand

    • BBV-38813172

  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)	0.34	1.18	-42.73	2	4	1	38	227.328	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.34	-0.19	-3.61	1	4	0	34	226.32	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.34	1.93	-31.88	2	4	1	35	227.328	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43803062
• 43803059
  

  Analogs

  43984868

  

  43984872

  

  43985113

  

  43985117

  

  43985322

  

  Popular Name: (4aS,7aR)-4-[[(2S)-morpholin-2-yl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aS,7aR)-4-[[(2S)-morpholin-2-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-38813172

  • UORSY BB Make-on-demand

    • BBV-38813172

  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)	0.34	1.3	-43.17	2	4	1	38	227.328	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.34	-0.08	-3.75	1	4	0	34	226.32	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.34	1.96	-31.72	2	4	1	35	227.328	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43803059
• 43803056
  

  Analogs

  43984868

  

  43984872

  

  43985113

  

  43985117

  

  43985322

  

  Popular Name: (4aR,7aR)-4-[[(2S)-morpholin-2-yl]methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (4aR,7aR)-4-[[(2S)-morpholin-2-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-38813172

  • UORSY BB Make-on-demand

    • BBV-38813172

  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)	0.34	1.41	-42.99	2	4	1	38	227.328	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.34	0.05	-3.8	1	4	0	34	226.32	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.34	2.28	-31.18	2	4	1	35	227.328	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43803056
• 43426750
  

  Analogs

  43426751

  

  43426752

  

  43426753

  

  43426754

  

  43426755

  

  Popular Name: 2-[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethanol 2-[(4aR,7aR)-3,4a,5,6,7,7a-hexah…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61668102

  • Enamine BB Make on Demand

    • BBV-33331351

  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)	0.44	-0.56	-4.44	1	3	0	33	171.24	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.44	1.67	-30.74	2	3	1	34	172.248	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43426750
• 43426751
  

  Analogs

  43426752

  

  43426753

  

  43426754

  

  43426755

  

  43426756

  

  Popular Name: 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethanol 2-[(4aS,7aR)-3,4a,5,6,7,7a-hexah…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61668102

  • Enamine BB Make on Demand

    • BBV-33331351

  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)	0.44	-0.72	-4.2	1	3	0	33	171.24	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.44	1.34	-31.22	2	3	1	34	172.248	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43426751
• 43426752
  

  Analogs

  43426753

  

  43426754

  

  43426755

  

  43426756

  

  43426757

  

  Popular Name: 2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethanol 2-[(4aR,7aS)-3,4a,5,6,7,7a-hexah…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61668102

  • Enamine BB Make on Demand

    • BBV-33331351

  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)	0.44	-0.79	-4.15	1	3	0	33	171.24	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.44	1.34	-31.38	2	3	1	34	172.248	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43426752
• 43426753
  

  Analogs

  43426754

  

  43426755

  

  43426756

  

  43426757

  

  43426762

  

  Popular Name: 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethanol 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61668102

  • Enamine BB Make on Demand

    • BBV-33331351

  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)	0.44	-0.99	-4.56	1	3	0	33	171.24	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.44	1.34	-30.78	2	3	1	34	172.248	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43426753
• 42292901
  

  Analogs

  43424285

  

  43424286

  

  43424287

  

  43424288

  

  43424309

  

  Popular Name: 3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]propan-1-ol 3-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61357064

  • Enamine BB Make on Demand

    • BBV-33170814
    • BBV-38426258

  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)	0.71	-0.25	-4.43	1	3	0	33	185.267	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.71	2.01	-34.04	2	3	1	34	186.275	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42292901