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• Synonyms (0)
• Vendors (1)
• Annotations (0)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (4)
• Analogs (9)

ZINC37817819

• 37817819

Physical Representations

Activity (Go SEA)

• 36827038
  

  Analogs

  37811210

  

  37811211

  

  37811212

  

  37811213

  

  37816678

  

  Popular Name: (2R)-1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-phenyl-ethanone (2R)-1-[(4aS,8aS)-3,4,4a,5,6,7,8…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43628225

  • UORSY BB Make-on-demand

    • BBV-27054404

  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)	0.95	6.85	-43.14	3	3	1	48	273.4	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.95	6.51	-5.16	2	3	0	46	272.392	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36827038
• 36827037
  

  Analogs

  37811210

  

  37811211

  

  37811212

  

  37811213

  

  37816678

  

  Popular Name: (2S)-1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-phenyl-ethanone (2S)-1-[(4aS,8aS)-3,4,4a,5,6,7,8…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43628225

  • UORSY BB Make-on-demand

    • BBV-27054404

  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)	0.95	6.65	-43.5	3	3	1	48	273.4	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.95	6.33	-5.83	2	3	0	46	272.392	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36827037
• 36827036
  

  Analogs

  37811210

  

  37811211

  

  37811212

  

  37811213

  

  37816678

  

  Popular Name: (2R)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-phenyl-ethanone (2R)-1-[(4aR,8aS)-3,4,4a,5,6,7,8…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43628225

  • UORSY BB Make-on-demand

    • BBV-27054404

  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)	0.95	6.84	-42.45	3	3	1	48	273.4	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.95	6.53	-6.56	2	3	0	46	272.392	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36827036
• 36827035
  

  Analogs

  37811210

  

  37811211

  

  37811212

  

  37811213

  

  37816678

  

  Popular Name: (2S)-1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-phenyl-ethanone (2S)-1-[(4aR,8aS)-3,4,4a,5,6,7,8…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43628225

  • UORSY BB Make-on-demand

    • BBV-27054404

  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)	0.95	6.76	-42.08	3	3	1	48	273.4	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.95	6.42	-7.22	2	3	0	46	272.392	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36827035
• 37027279
  

  Analogs

  37816678

  

  37816679

  

  37816680

  

  37816681

  

  37817819

  

  Popular Name: (2R)-2-amino-N-[(1S,2R)-2-ethylcyclohexyl]-2-phenyl-acetamide (2R)-2-amino-N-[(1S,2R)-2-ethylc…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61178384
    • 43706939

  • Enamine BB Make on Demand

    • BBV-44226998
    • BBV-27180566

  • UORSY BB Make-on-demand

    • BBV-27180566

  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)	1.18	5.91	-7.3	3	3	0	55	260.381	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.18	6.23	-43.49	4	3	1	57	261.389	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37027279
• 37027280
  

  Analogs

  37816678

  

  37816679

  

  37816680

  

  37816681

  

  37817819

  

  Popular Name: (2R)-2-amino-N-[(1S,2S)-2-ethylcyclohexyl]-2-phenyl-acetamide (2R)-2-amino-N-[(1S,2S)-2-ethylc…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61178384
    • 43706939

  • Enamine BB Make on Demand

    • BBV-44226998
    • BBV-27180566

  • UORSY BB Make-on-demand

    • BBV-27180566

  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)	1.18	5.54	-7.64	3	3	0	55	260.381	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.18	5.86	-43.58	4	3	1	57	261.389	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37027280
• 37027281
  

  Analogs

  37816678

  

  37816679

  

  37816680

  

  37816681

  

  37817819

  

  Popular Name: (2R)-2-amino-N-[(1R,2R)-2-ethylcyclohexyl]-2-phenyl-acetamide (2R)-2-amino-N-[(1R,2R)-2-ethylc…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61178384
    • 43706939

  • Enamine BB Make on Demand

    • BBV-44226998
    • BBV-27180566

  • UORSY BB Make-on-demand

    • BBV-27180566

  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)	1.18	5.54	-7.7	3	3	0	55	260.381	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.18	5.86	-43.47	4	3	1	57	261.389	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37027281
• 37027282
  

  Analogs

  37816678

  

  37816679

  

  37816680

  

  37816681

  

  37817819

  

  Popular Name: (2R)-2-amino-N-[(1R,2S)-2-ethylcyclohexyl]-2-phenyl-acetamide (2R)-2-amino-N-[(1R,2S)-2-ethylc…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61178384
    • 43706939

  • Enamine BB Make on Demand

    • BBV-44226998
    • BBV-27180566

  • UORSY BB Make-on-demand

    • BBV-27180566

  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)	1.18	5.91	-7.31	3	3	0	55	260.381	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.18	6.23	-43.38	4	3	1	57	261.389	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37027282
• 34651140
  

  Analogs

  37816678

  

  37816679

  

  37816680

  

  37816681

  

  37817819

  

  Popular Name: (2R)-2-amino-N-[(1S,2R)-2-methylcyclohexyl]-2-phenyl-acetamide (2R)-2-amino-N-[(1S,2R)-2-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61148361
    • 24691666

  • Enamine BB Make on Demand

    • BBV-44226622
    • BBV-062641

  • UORSY BB Make-on-demand

    • BBV-062641

  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)	0.68	5.28	-6.59	3	3	0	55	246.354	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.68	5.6	-43.28	4	3	1	57	247.362	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34651140