User Information

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

ZINC44693018

• 44693018

Physical Representations

Activity (Go SEA)

• 35775178
  

  Analogs

  37831300

  

  37831301

  

  37831302

  

  37831303

  

  37833133

  

  Popular Name: (1S,2S)-2-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexanecarboxylic (1S,2S)-2-[(3S)-3-methylmorpholi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43541987

  • Enamine BB Make on Demand

    • BBV-25168300

  • UORSY BB Make-on-demand

    • BBV-25168300

  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)	1.24	6.01	-56.12	0	5	-1	70	254.306	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35775178
• 35775175
  

  Analogs

  35775178

  

  37831300

  

  37831301

  

  37831302

  

  37831303

  

  Popular Name: (1S,2S)-2-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexanecarboxylic (1S,2S)-2-[(3R)-3-methylmorpholi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43541987

  • Enamine BB Make on Demand

    • BBV-25168300

  • UORSY BB Make-on-demand

    • BBV-25168300

  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)	1.24	6.06	-54.86	0	5	-1	70	254.306	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35775175
• 35775174
  

  Analogs

  35775175

  

  35775178

  

  37831300

  

  37831301

  

  37831302

  

  Popular Name: (1S,2R)-2-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexanecarboxylic (1S,2R)-2-[(3S)-3-methylmorpholi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43541987

  • Enamine BB Make on Demand

    • BBV-25168300

  • UORSY BB Make-on-demand

    • BBV-25168300

  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)	1.24	5.23	-57.93	0	5	-1	70	254.306	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35775174
• 35775171
  

  Analogs

  35775174

  

  35775175

  

  35775178

  

  37831300

  

  37831301

  

  Popular Name: (1S,2R)-2-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexanecarboxylic (1S,2R)-2-[(3R)-3-methylmorpholi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43541987

  • Enamine BB Make on Demand

    • BBV-25168300

  • UORSY BB Make-on-demand

    • BBV-25168300

  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)	1.24	5.28	-57.54	0	5	-1	70	254.306	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35775171
• 35123336
  

  Analogs

  37794959

  

  37795070

  

  37795071

  

  37795072

  

  37795073

  

  Popular Name: (1S,2R)-2-[[(1S)-2-methoxy-1-methyl-ethyl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1S)-2-methoxy-1-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43396493

  • Enamine BB Make on Demand

    • BBV-25034156

  • UORSY BB Make-on-demand

    • BBV-25034156

  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)	1.13	4.21	-59.21	1	5	-1	78	242.295	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.13	2.9	-10.81	2	5	0	76	243.303	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35123336
• 35123338
  

  Analogs

  37794959

  

  37795070

  

  37795071

  

  37795072

  

  37795073

  

  Popular Name: (1S,2R)-2-[[(1R)-2-methoxy-1-methyl-ethyl]carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[[(1R)-2-methoxy-1-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43396493

  • Enamine BB Make on Demand

    • BBV-25034156

  • UORSY BB Make-on-demand

    • BBV-25034156

  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)	1.13	4.2	-57.1	1	5	-1	78	242.295	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.13	2.9	-10.15	2	5	0	76	243.303	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35123338
• 35123340
  

  Analogs

  37794959

  

  37795070

  

  37795071

  

  37795072

  

  37795073

  

  Popular Name: (1S,2S)-2-[[(1S)-2-methoxy-1-methyl-ethyl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1S)-2-methoxy-1-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43396493

  • Enamine BB Make on Demand

    • BBV-25034156

  • UORSY BB Make-on-demand

    • BBV-25034156

  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)	1.13	5.19	-56.3	1	5	-1	78	242.295	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.13	3.16	-9.88	2	5	0	76	243.303	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35123340
• 35123342
  

  Analogs

  37794959

  

  37795070

  

  37795071

  

  37795072

  

  37795073

  

  Popular Name: (1S,2S)-2-[[(1R)-2-methoxy-1-methyl-ethyl]carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[(1R)-2-methoxy-1-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43396493

  • Enamine BB Make on Demand

    • BBV-25034156

  • UORSY BB Make-on-demand

    • BBV-25034156

  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)	1.13	5.19	-58.04	1	5	-1	78	242.295	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.13	3.16	-10.58	2	5	0	76	243.303	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35123342
• 35775140
  

  Analogs

  35775143

  

  37831318

  

  37831319

  

  37833111

  

  37833112

  

  Popular Name: 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(3R)-3-methylmorpholin-4-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43541980

  • Enamine BB Make on Demand

    • BBV-25168293

  • UORSY BB Make-on-demand

    • BBV-25168293

  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)	1.35	6.57	-57.95	0	5	-1	70	268.333	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35775140