User Information

• Synonyms (0)
• Vendors (5)
• Annotations (5)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (2)

ZINC20208912

• 20208912

Physical Representations

Activity (Go SEA)

• 4100629
  

  Analogs

  4100638

  

  4101737

  

  4101738

  

  4101739

  

  4101740

  

  Popular Name: N-[2-(butyl-ethyl-amino)ethyl]-dimethoxy-oxo-BLAHcarboxamide N-[2-(butyl-ethyl-amino)ethyl]-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 6683167

  • Molport

    • MolPort-007-624-689

  • Mcule

    • MCULE-3332968856

  • ChEMBL12

    • CHEMBL1532090

  • ChEMBL19

    • CHEMBL1532090

  And 5 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)	2.84	11.21	-65.42	2	7	1	72	480.629	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.02	8.82	-39.16	1	7	0	79	479.621	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04100629
• 4100638
  

  Analogs

  4101739

  

  4101740

  

  6729659

  

  20208905

  

  20208908

  

  Popular Name: N-[2-(butyl-ethyl-amino)ethyl]-dimethoxy-oxo-BLAHcarboxamide N-[2-(butyl-ethyl-amino)ethyl]-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 6683167

  • Molport

    • MolPort-007-624-689

  • Mcule

    • MCULE-3332968856

  • ChEMBL12

    • CHEMBL1532090

  • ChEMBL19

    • CHEMBL1532090

  And 5 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)	2.84	11.28	-60.95	2	7	1	72	480.629	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.02	9.33	-36.08	1	7	0	79	479.621	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04100638