User Information

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

ZINC43914181

• 43914181

Physical Representations

Activity (Go SEA)

• 59321882
  

  Analogs

  42450230

  

  42450232

  

  Popular Name: (2S)-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]nonan-1-amine (2S)-2-[(2S,5S)-2,5-dimethylmorp…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43544383

  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)	3.13	4.05	-44.27	3	3	1	40	257.442	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.13	6.55	-122.88	4	3	2	41	258.45	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC59321882
• 59321888
  

  Analogs

  42450230

  

  42450232

  

  Popular Name: (2R)-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]nonan-1-amine (2R)-2-[(2S,5S)-2,5-dimethylmorp…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43544383

  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)	3.13	4.46	-43.9	3	3	1	40	257.442	8	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.13	6.62	-116.88	4	3	2	41	258.45	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC59321888
• 35787505
  

  Analogs

  35787508

  

  42452017

  

  42452019

  

  42452021

  

  42452023

  

  Popular Name: (2R,5R)-2,5-dimethyl-4-[[(2S)-2-piperidyl]methyl]morpholine (2R,5R)-2,5-dimethyl-4-[[(2S)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43544744

  • Enamine BB Make on Demand

    • BBV-25171170

  • UORSY BB Make-on-demand

    • BBV-25171170

  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)	1.56	3.47	-35.02	2	3	1	29	213.345	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35787505
• 35787508
  

  Analogs

  42452017

  

  42452019

  

  42452021

  

  42452023

  

  43913698

  

  Popular Name: (2S,5R)-2,5-dimethyl-4-[[(2S)-2-piperidyl]methyl]morpholine (2S,5R)-2,5-dimethyl-4-[[(2S)-2-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43544744

  • Enamine BB Make on Demand

    • BBV-25171170

  • UORSY BB Make-on-demand

    • BBV-25171170

  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)	1.56	3.34	-38.36	2	3	1	29	213.345	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35787508
• 35784055
  

  Analogs

  35784058

  

  42450230

  

  42450232

  

  42450634

  

  42450636

  

  Popular Name: (1S,2R)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]cyclohexanamine (1S,2R)-2-[(2R,5R)-2,5-dimethylm…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43544502

  • Enamine BB Make on Demand

    • BBV-25170928

  • UORSY BB Make-on-demand

    • BBV-25170928

  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)	1.15	1.89	-1.4	2	3	0	38	212.337	1	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.15	3.76	-30.09	3	3	1	40	213.345	1	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.15	4	-116.56	4	3	2	41	214.353	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35784055
• 35784058
  

  Analogs

  42450230

  

  42450232

  

  42450634

  

  42450636

  

  42450638

  

  Popular Name: (1S,2R)-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]cyclohexanamine (1S,2R)-2-[(2S,5R)-2,5-dimethylm…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43544502

  • Enamine BB Make on Demand

    • BBV-25170928

  • UORSY BB Make-on-demand

    • BBV-25170928

  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)	1.15	1.91	-2.08	2	3	0	38	212.337	1	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.15	4.08	-115	4	3	2	41	214.353	1	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.15	3.94	-29.1	3	3	1	40	213.345	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35784058
• 35783460
  

  Analogs

  35783462

  

  35783464

  

  35783466

  

  42450230

  

  42450232

  

  Popular Name: (2S)-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]heptan-1-amine (2S)-2-[(2S,5S)-2,5-dimethylmorp…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43544381

  • Enamine BB Make on Demand

    • BBV-25170807

  • UORSY BB Make-on-demand

    • BBV-25170807

  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)	2.12	2.49	-44.19	3	3	1	40	229.388	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35783460
• 35783462
  

  Analogs

  35783464

  

  35783466

  

  42450230

  

  42450232

  

  42450430

  

  Popular Name: (2R)-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]heptan-1-amine (2R)-2-[(2S,5S)-2,5-dimethylmorp…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43544381

  • Enamine BB Make on Demand

    • BBV-25170807

  • UORSY BB Make-on-demand

    • BBV-25170807

  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)	2.12	2.9	-43.92	3	3	1	40	229.388	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35783462
• 35783464
  

  Analogs

  35783466

  

  42450230

  

  42450232

  

  42450430

  

  42450432

  

  Popular Name: (2S)-2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]octan-1-amine (2S)-2-[(2S,5S)-2,5-dimethylmorp…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43544382

  • Enamine BB Make on Demand

    • BBV-25170808

  • UORSY BB Make-on-demand

    • BBV-25170808

  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)	2.63	3.27	-44.23	3	3	1	40	243.415	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35783464