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

ZINC42942684

• 42942684

Physical Representations

Activity (Go SEA)

• 19671460
  

  Analogs

  42916153

  

  42916154

  

  42916155

  

  42916156

  

  42916157

  

  Popular Name: (2S)-2-(4-ethylphenoxy)-2-(4-fluorophenyl)ethanamine (2S)-2-(4-ethylphenoxy)-2-(4-flu…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55015119
    • 28262261

  • Enamine BB Make on Demand

    • BBV-33273837

  • UORSY BB Make-on-demand

    • BBV-33273837

  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)	3.46	7.52	-49.48	3	2	1	37	260.332	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.46	7.2	-3.42	2	2	0	35	259.324	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671460
• 19671458
  

  Analogs

  42916153

  

  42916154

  

  42916155

  

  42916156

  

  42916157

  

  Popular Name: (2R)-2-(4-ethylphenoxy)-2-(4-fluorophenyl)ethanamine (2R)-2-(4-ethylphenoxy)-2-(4-flu…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55015119
    • 28262258

  • Enamine BB Make on Demand

    • BBV-33273837

  • UORSY BB Make-on-demand

    • BBV-33273837

  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)	3.46	7.57	-49.96	3	2	1	37	260.332	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.46	7.22	-5.54	2	2	0	35	259.324	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671458
• 19671398
  

  Analogs

  42916153

  

  42916154

  

  42916155

  

  42916156

  

  42916157

  

  Popular Name: (2R)-2-(4-fluorophenyl)-2-(4-methylphenoxy)ethanamine (2R)-2-(4-fluorophenyl)-2-(4-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55014880
    • 28262175

  • Enamine BB Make on Demand

    • BBV-33273921

  • UORSY BB Make-on-demand

    • BBV-33273921

  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)	2.99	6.81	-49.79	3	2	1	37	246.305	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.99	6.46	-5.78	2	2	0	35	245.297	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671398
• 19671400
  

  Analogs

  42916153

  

  42916154

  

  42916155

  

  42916156

  

  42916157

  

  Popular Name: (2S)-2-(4-fluorophenyl)-2-(4-methylphenoxy)ethanamine (2S)-2-(4-fluorophenyl)-2-(4-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55014880
    • 28262177

  • Enamine BB Make on Demand

    • BBV-33273921

  • UORSY BB Make-on-demand

    • BBV-33273921

  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)	2.99	6.76	-50.23	3	2	1	37	246.305	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.99	6.49	-3.66	2	2	0	35	245.297	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671400
• 19671495
  

  Analogs

  42916135

  

  42916136

  

  42916137

  

  42916138

  

  42916311

  

  Popular Name: (2S)-2-(4-ethoxyphenoxy)-2-(4-fluorophenyl)ethanamine (2S)-2-(4-ethoxyphenoxy)-2-(4-fl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61617234
    • 28262312

  • Enamine BB Make on Demand

    • BBV-33273814

  • UORSY BB Make-on-demand

    • BBV-33273814

  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)	2.98	6.33	-51.62	3	3	1	46	276.331	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.98	6.06	-4.62	2	3	0	44	275.323	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671495
• 19671493
  

  Analogs

  42916135

  

  42916136

  

  42916137

  

  42916138

  

  42916311

  

  Popular Name: (2R)-2-(4-ethoxyphenoxy)-2-(4-fluorophenyl)ethanamine (2R)-2-(4-ethoxyphenoxy)-2-(4-fl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61617234
    • 28262309

  • Enamine BB Make on Demand

    • BBV-33273814

  • UORSY BB Make-on-demand

    • BBV-33273814

  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)	2.98	6.36	-51.17	3	3	1	46	276.331	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.98	6.02	-6.5	2	3	0	44	275.323	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671493
• 19671446
  

  Analogs

  42916135

  

  42916136

  

  42916137

  

  42916138

  

  42916385

  

  Popular Name: (2R)-2-(4-fluorophenyl)-2-(4-methoxyphenoxy)ethanamine (2R)-2-(4-fluorophenyl)-2-(4-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55014832
    • 28262241

  • Enamine BB Make on Demand

    • BBV-33273906

  • UORSY BB Make-on-demand

    • BBV-33273906

  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)	2.60	5.41	-51.53	3	3	1	46	262.304	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.60	5.07	-6.71	2	3	0	44	261.296	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671446
• 19671448
  

  Analogs

  42916135

  

  42916136

  

  42916137

  

  42916138

  

  42916311

  

  Popular Name: (2S)-2-(4-fluorophenyl)-2-(4-methoxyphenoxy)ethanamine (2S)-2-(4-fluorophenyl)-2-(4-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55014832
    • 28262243

  • Enamine BB Make on Demand

    • BBV-33273906

  • UORSY BB Make-on-demand

    • BBV-33273906

  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)	2.60	5.4	-51.75	3	3	1	46	262.304	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.60	5.14	-4.77	2	3	0	44	261.296	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19671448
• 34496149
  

  Analogs

  42903017

  

  42903019

  

  42903022

  

  42903025

  

  42903061

  

  Popular Name: (1S,2S)-N-methyl-1-phenoxy-1-phenyl-propan-2-amine (1S,2S)-N-methyl-1-phenoxy-1-phe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15186452
    • 22142142
    • 11014302

  • SureChEMBL

    • SCHEMBL1408231
    • SCHEMBL316701

  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)	3.69	7.9	-39.04	2	2	1	26	242.342	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.69	6.94	-3.43	1	2	0	21	241.334	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34496149