User Information

• Synonyms (0)
• Vendors (3)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC34925842

• 34925842

Physical Representations

Activity (Go SEA)

• 34925843
  

  Analogs

  34925842

  

  Popular Name: (2S)-1-(cyclohexylamino)-3-methoxy-propan-2-ol (2S)-1-(cyclohexylamino)-3-metho…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 50998281

  • Ambinter

    • Amb19888678

  • Enamine BB Make on Demand

    • BBV-38740482

  • UORSY BB Make-on-demand

    • BBV-38740482

  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)	1.34	1.45	-38.91	3	3	1	46	188.291	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.34	0.23	-3.88	2	3	0	41	187.283	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34925843
• 46345970
  

  Analogs

  34925842

  

  Popular Name: (2S)-1-tert-butoxy-3-[cyclohexyl(ethyl)amino]propan-2-ol (2S)-1-tert-butoxy-3-[cyclohexyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  None

  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)	3.15	5.81	-33.32	2	3	1	34	258.426	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC46345970
• 46345972
  

  Analogs

  34925842

  

  Popular Name: (2R)-1-tert-butoxy-3-[cyclohexyl(ethyl)amino]propan-2-ol (2R)-1-tert-butoxy-3-[cyclohexyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  None

  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)	3.15	5.82	-33.29	2	3	1	34	258.426	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC46345972
• 7636342
  

  Analogs

  7636343

  

  34925842

  

  37847791

  

  37847792

  

  37847793

  

  Popular Name: 1-cyclohexylamino-3-tert-butoxy-propan-2-ol 1-cyclohexylamino-3-tert-butoxy-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 32268508

  • Molport

    • MolPort-004-893-048

  • Innovapharm

    • STT-00257056

  • Mcule

    • MCULE-7626195625

  • Princeton BioMolecular Research

    • OSSK_757412

  And 7 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)	2.53	-3.05	-38.74	3	3	1	46	230.372	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07636342
• 7636343
  

  Analogs

  34925842

  

  37847791

  

  37847792

  

  37847793

  

  37847794

  

  Popular Name: 1-cyclohexylamino-3-tert-butoxy-propan-2-ol 1-cyclohexylamino-3-tert-butoxy-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 32268508

  • Molport

    • MolPort-004-893-048

  • Innovapharm

    • STT-00257056

  • Mcule

    • MCULE-7626195625

  • Princeton BioMolecular Research

    • OSSK_757412

  And 7 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)	2.53	-3.01	-38.75	3	3	1	46	230.372	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07636343
• 2651849
  

  Analogs

  7157502

  

  32008072

  

  33794089

  

  34925842

  

  37853170

  

  Popular Name: cyclohexyl-[(2R)-2,3-dihydroxypropyl]-isopropyl-ammonium cyclohexyl-[(2R)-2,3-dihydroxypr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-8027607539

  • ChemDB

    • 5520874

  • PubChem

    • 2115162
    • 5149220
    • 16245007

  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)	1.64	2.08	-32.33	3	3	1	45	216.345	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02651849
• 7157502
  

  Analogs

  32008072

  

  33794089

  

  34925842

  

  37853170

  

  37853171

  

  Popular Name: 3-(cyclohexyl-isopropyl-amino)propane-1,2-diol 3-(cyclohexyl-isopropyl-amino)pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-8027607539

  • ChemDB

    • 5520874

  • PubChem

    • 6591320
    • 5149220
    • 16245007

  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)	1.64	1.86	-32.41	3	3	1	45	216.345	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07157502