User Information

• Synonyms (0)
• Vendors (3)
• Annotations (3)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC05459058

• 5459058

Physical Representations

Activity (Go SEA)

• 21787643
  

  Analogs

  43445458

  

  5160603

  

  Popular Name: N,4-dibutylaniline N,4-dibutylaniline

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15210856

  • SureChEMBL

    • SCHEMBL7936552

  • Enamine BB Make on Demand

    • BBR-052290

  • UORSY BB Make-on-demand

    • BBR-052290

  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)	5.10	8.61	-2.41	1	1	0	12	205.345	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21787643
• 21793507
  

  Analogs

  22063587

  

  8699712

  

  Popular Name: 3-isopropyl-N-(3-phenylpropyl)aniline 3-isopropyl-N-(3-phenylpropyl)an…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29772010

  • Enamine BB Make on Demand

    • BBR-053484

  • UORSY BB Make-on-demand

    • BBR-053484

  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)	5.61	10.57	-3.76	1	1	0	12	253.389	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21793507
• 32108365
  

  Analogs

  19738529

  

  Popular Name: N1,N1-dimethyl-N4-(3-phenylpropyl)benzene-1,4-diamine N1,N1-dimethyl-N4-(3-phenylpropy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 1399645

  • PubChem

    • 39357114

  • Enamine BB Make on Demand

    • BBV-27024837

  • UORSY BB Make-on-demand

    • BBV-27024837

  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)	4.22	9.03	-4.86	1	2	0	15	254.377	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32108365
• 34540813
  

  Analogs

  5320331

  

  Popular Name: 2-methyl-N-[(3S)-3-phenylbutyl]aniline 2-methyl-N-[(3S)-3-phenylbutyl]a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15370915

  • UORSY BB Make-on-demand

    • BBV-37434462

  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)	5.07	9.8	-3.5	1	1	0	12	239.362	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34540813
• 34540815
  

  Analogs

  19737961

  

  Popular Name: 3-methyl-N-[(3R)-3-phenylbutyl]aniline 3-methyl-N-[(3R)-3-phenylbutyl]a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15370916

  • UORSY BB Make-on-demand

    • BBV-37431365

  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)	5.09	9.67	-3.47	1	1	0	12	239.362	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34540815