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

ZINC19955690

• 19955690

Physical Representations

Activity (Go SEA)

• 21787065
  

  Analogs

  19955690

  

  Popular Name: 4-tert-butyl-N-[(3,4-difluorophenyl)methyl]aniline 4-tert-butyl-N-[(3,4-difluorophe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29767218

  • Enamine BB Make on Demand

    • BBR-052172

  • UORSY BB Make-on-demand

    • BBR-052172

  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)	5.16	9.54	-5.17	1	1	0	12	275.342	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21787065
• 21805455
  

  Analogs

  28863080

  

  30523514

  

  35133945

  

  7366208

  

  Popular Name: N-[(4-diethylaminophenyl)methyl]-5-fluoro-2-methyl-aniline N-[(4-diethylaminophenyl)methyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29782483

  • Enamine BB Make on Demand

    • BBR-056245

  • UORSY BB Make-on-demand

    • BBR-056245

  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)	4.59	10.23	-4.33	1	2	0	15	286.394	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21805455
• 21810527
  

  Analogs

  28863080

  

  19955986

  

  19955666

  

  Popular Name: N-[(4-ethylphenyl)methyl]-3-fluoro-4-methyl-aniline N-[(4-ethylphenyl)methyl]-3-fluo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29787027

  • Enamine BB Make on Demand

    • BBR-057724

  • UORSY BB Make-on-demand

    • BBR-057724

  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)	4.65	9.22	-3.72	1	1	0	12	243.325	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21810527
• 36888506
  

  Analogs

  40230764

  

  19907718

  

  19955666

  

  Popular Name: N-[(2,3-difluorophenyl)methyl]-2,5-difluoro-aniline N-[(2,3-difluorophenyl)methyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43658803

  • Enamine BB Make on Demand

    • BBV-27131394

  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)	3.68	7.34	-6.83	1	1	0	12	255.214	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36888506
• 36888515
  

  Analogs

  19955666

  

  Popular Name: N-[(2,3-difluorophenyl)methyl]-3,4-difluoro-aniline N-[(2,3-difluorophenyl)methyl]-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43658808

  • Enamine BB Make on Demand

    • BBV-27131399

  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)	3.68	7.3	-8.97	1	1	0	12	255.214	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36888515