User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC43433126

• 43433126

Physical Representations

Activity (Go SEA)

• 27428679
  

  Analogs

  37795070

  

  37795071

  

  37795072

  

  37795073

  

  37795081

  

  Popular Name: (1S,2R)-2-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]cyclohexane-1-carboxylic (1S,2R)-2-[[(1S)-1-carboxy-3-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL335103

  • ChEMBL19

    • CHEMBL335103

  • PubChem

    • 61666711
    • 10589190

  • Enamine BB Make on Demand

    • BBV-33333296

  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)	0.25	6.18	-126.18	1	6	-2	109	283.324	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.25	5.05	-63.57	2	6	-1	107	284.332	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC27428679
• 27428684
  

  Analogs

  37795070

  

  37795071

  

  37795072

  

  37795073

  

  37795081

  

  Popular Name: (1S,2S)-2-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]cyclohexane-1-carboxylic (1S,2S)-2-[[(1S)-1-carboxy-3-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL335103

  • ChEMBL19

    • CHEMBL335103

  • PubChem

    • 61666711
    • 10589190

  • Enamine BB Make on Demand

    • BBV-33333296

  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)	0.25	6.5	-142.25	1	6	-2	109	283.324	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.25	5.37	-67.63	2	6	-1	107	284.332	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC27428684
• 27428689
  

  Analogs

  37795070

  

  37795071

  

  37795072

  

  37795073

  

  37795081

  

  Popular Name: (1R,2R)-2-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]cyclohexane-1-carboxylic (1R,2R)-2-[[(1S)-1-carboxy-3-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL335103

  • ChEMBL19

    • CHEMBL335103

  • PubChem

    • 10589190

  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)	0.25	6.46	-128.98	1	6	-2	109	283.324	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.25	5.32	-62.3	2	6	-1	107	284.332	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC27428689
• 27428694
  

  Analogs

  37795070

  

  37795071

  

  37795072

  

  37795073

  

  37795081

  

  Popular Name: (1R,2S)-2-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]cyclohexane-1-carboxylic (1R,2S)-2-[[(1S)-1-carboxy-3-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL335103

  • ChEMBL19

    • CHEMBL335103

  • PubChem

    • 10589190

  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)	0.25	6.24	-141.5	1	6	-2	109	283.324	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.25	5.12	-68.54	2	6	-1	107	284.332	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC27428694