User Information

• Synonyms (2)
• Vendors (12)
• Annotations (4)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC00028117

• 28117

Physical Representations

Activity (Go SEA)

• 2780001
  

  Analogs

  3183335

  

  3520265

  

  28117

  

  Popular Name:

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AK-968/11368607

  • Vitas-M

    • STK417685

  • eMolecules

    • 1094058

  • Molport

    • MolPort-001-031-583

  • Alinda

    • IVK/6224005

  And 12 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)	4.23	-0.25	-12.1	1	3	0	38	324.207	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02780001
• 3183335
  

  Analogs

  3520265

  

  28117

  

  Popular Name: N-benzyl-2-(2,4,6-trichlorophenoxy)acetamide N-benzyl-2-(2,4,6-trichloropheno…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 597494

  • Molport

    • MolPort-003-248-618

  • Aldrich CPR

    • T106771|ALDRICH

  • Enamine

    • Z26343459

  • Mcule

    • MCULE-2320152834

  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)	4.39	-0.58	-8.36	1	3	0	38	344.625	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03183335
• 3520265
  

  Analogs

  6918480

  

  94334

  

  Popular Name: N-benzyl-2-(2,6-dichlorophenoxy)acetamide N-benzyl-2-(2,6-dichlorophenoxy)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY Make-on-demand

    • PB25140782

  • PubChem

    • 2637216

  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)	3.76	8.4	-10.59	1	3	0	38	310.18	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03520265
• 32160084
  

  Analogs

  40004955

  

  4907178

  

  Popular Name: benzenemethanamine, N-[2-(2,4-dichlorophenoxy)ethyl]- benzenemethanamine, N-[2-(2,4-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aronis BB Make-on-demand

    • BLOCK20287

  • PubChem

    • 39406061
    • 39406060

  • AKOS (make-on-demand)

    • AKOS003582693

  • Enamine BB Make on Demand

    • BBV-34335436

  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)	4.46	9.01	-45.75	2	2	1	26	297.205	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.46	7.54	-6.05	1	2	0	21	296.197	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32160084