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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC42916250

• 42916250

Physical Representations

Activity (Go SEA)

• 19671501
  

  Analogs

  42900133

  

  42900136

  

  42907282

  

  42907285

  

  42916171

  

  Popular Name: (2R)-2-(2,5-dimethylphenoxy)-2-(4-fluorophenyl)ethanamine (2R)-2-(2,5-dimethylphenoxy)-2-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55015262
    • 28262320

  • Enamine BB Make on Demand

    • BBV-33273858

  • UORSY BB Make-on-demand

    • BBV-33273858

  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)	3.37	7.57	-49.74	3	2	1	37	260.332	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.37	7.24	-5.64	2	2	0	35	259.324	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671501
• 19671503
  

  Analogs

  42916171

  

  42916172

  

  42916173

  

  42916174

  

  42916175

  

  Popular Name: (2S)-2-(2,5-dimethylphenoxy)-2-(4-fluorophenyl)ethanamine (2S)-2-(2,5-dimethylphenoxy)-2-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55015262
    • 28262323

  • Enamine BB Make on Demand

    • BBV-33273858

  • UORSY BB Make-on-demand

    • BBV-33273858

  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)	3.37	7.5	-49.16	3	2	1	37	260.332	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.37	7.2	-3.58	2	2	0	35	259.324	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671503
• 19671511
  

  Analogs

  42916171

  

  42916172

  

  42916173

  

  42916174

  

  42916247

  

  Popular Name: (2S)-2-(2,3-dimethylphenoxy)-2-(4-fluorophenyl)ethanamine (2S)-2-(2,3-dimethylphenoxy)-2-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55015072
    • 28262334

  • Enamine BB Make on Demand

    • BBV-33273830

  • UORSY BB Make-on-demand

    • BBV-33273830

  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)	3.35	7.51	-49.15	3	2	1	37	260.332	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.35	7.22	-3.66	2	2	0	35	259.324	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671511
• 19671509
  

  Analogs

  42916171

  

  42916172

  

  42916173

  

  42916174

  

  42916175

  

  Popular Name: (2R)-2-(2,3-dimethylphenoxy)-2-(4-fluorophenyl)ethanamine (2R)-2-(2,3-dimethylphenoxy)-2-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55015072
    • 28262331

  • Enamine BB Make on Demand

    • BBV-33273830

  • UORSY BB Make-on-demand

    • BBV-33273830

  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)	3.35	7.55	-49.85	3	2	1	37	260.332	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.35	7.21	-5.72	2	2	0	35	259.324	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671509
• 19671523
  

  Analogs

  42916171

  

  42916172

  

  42916173

  

  42916174

  

  42916247

  

  Popular Name: (2S)-2-(4-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanamine (2S)-2-(4-fluorophenyl)-2-(2,3,6…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28262351

  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)	3.75	7.97	-52.75	3	2	1	37	274.359	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.75	7.64	-3.89	2	2	0	35	273.351	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671523
• 19671521
  

  Analogs

  42916171

  

  42916172

  

  42916173

  

  42916174

  

  42916247

  

  Popular Name: (2R)-2-(4-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanamine (2R)-2-(4-fluorophenyl)-2-(2,3,6…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28262349

  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)	3.75	8.36	-44.17	3	2	1	37	274.359	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.75	8.28	-4.27	2	2	0	35	273.351	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671521
• 19671525
  

  Analogs

  42916171

  

  42916172

  

  42916173

  

  42916174

  

  42916247

  

  Popular Name: (2R)-2-(4-fluorophenyl)-2-(2,4,5-trimethylphenoxy)ethanamine (2R)-2-(4-fluorophenyl)-2-(2,4,5…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28262353

  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)	3.75	8.24	-49.71	3	2	1	37	274.359	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.75	7.91	-5.73	2	2	0	35	273.351	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671525
• 19671527
  

  Analogs

  42916171

  

  42916172

  

  42916173

  

  42916174

  

  42916247

  

  Popular Name: (2S)-2-(4-fluorophenyl)-2-(2,4,5-trimethylphenoxy)ethanamine (2S)-2-(4-fluorophenyl)-2-(2,4,5…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28262356

  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)	3.75	8.18	-50.38	3	2	1	37	274.359	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.75	7.92	-3.67	2	2	0	35	273.351	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671527
• 32120549
  

  Analogs

  32132123

  

  42916247

  

  42916248

  

  42916249

  

  42916250

  

  Popular Name: (2R)-2-(2,5-dimethylphenoxy)-2-(4-fluoro-3-methyl-phenyl)ethanamine (2R)-2-(2,5-dimethylphenoxy)-2-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39372548

  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)	3.75	8.21	-50.25	3	2	1	37	274.359	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.75	7.85	-5.74	2	2	0	35	273.351	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32120549