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

ZINC35869904

• 35869904

Physical Representations

Activity (Go SEA)

• 35869905
  

  Analogs

  35870652

  

  35870653

  

  35893988

  

  35893989

  

  35894012

  

  Popular Name: (4aS,5S)-N-[(1S)-1-methylpropyl]-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxami (4aS,5S)-N-[(1S)-1-methylpropyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45955564

  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)	4.29	10.2	-8.74	1	4	0	36	363.505	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35869905
• 35870652
  

  Analogs

  35870653

  

  35893988

  

  35893989

  

  35894012

  

  35894014

  

  Popular Name: [(4aS,5R)-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-(4-benzyl-1-piperidyl)methano [(4aS,5R)-3-phenyl-1,2,4,4a,5,6-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45955851

  • Ambinter

    • Amb8638752

  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)	5.91	15.83	-10.87	0	4	0	27	465.641	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35870652
• 35870653
  

  Analogs

  35893988

  

  35893989

  

  35894012

  

  35894014

  

  35869902

  

  Popular Name: [(4aS,5S)-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-(4-benzyl-1-piperidyl)methano [(4aS,5S)-3-phenyl-1,2,4,4a,5,6-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45955851

  • Ambinter

    • Amb8638752

  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)	5.91	15.51	-9.38	0	4	0	27	465.641	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35870653
• 35893988
  

  Analogs

  35893989

  

  35894012

  

  35894014

  

  35869902

  

  35869903

  

  Popular Name: (4aS,5R)-N-isobutyl-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (4aS,5R)-N-isobutyl-3-phenyl-1,2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 25146848

  • PubChem

    • 45960550

  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)	4.21	10.23	-10.45	1	4	0	36	363.505	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35893988
• 35893989
  

  Analogs

  35894012

  

  35894014

  

  35869902

  

  35869903

  

  35869904

  

  Popular Name: (4aS,5S)-N-isobutyl-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (4aS,5S)-N-isobutyl-3-phenyl-1,2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 25146848

  • PubChem

    • 45960550

  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)	4.21	9.95	-8.55	1	4	0	36	363.505	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35893989
• 35894012
  

  Analogs

  35894014

  

  35869902

  

  35869903

  

  35869904

  

  35869905

  

  Popular Name: (4aS,5R)-N-isopentyl-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (4aS,5R)-N-isopentyl-3-phenyl-1,…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 25146582

  • PubChem

    • 45960559

  • Ambinter

    • Amb8641228

  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)	4.74	10.76	-10.43	1	4	0	36	377.532	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35894012
• 35894014
  

  Analogs

  35869902

  

  35869903

  

  35869904

  

  35869905

  

  35870652

  

  Popular Name: (4aS,5S)-N-isopentyl-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (4aS,5S)-N-isopentyl-3-phenyl-1,…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 25146582

  • PubChem

    • 45960559

  • Ambinter

    • Amb8641228

  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)	4.74	10.47	-8.65	1	4	0	36	377.532	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35894014
• 35869902
  

  Analogs

  35869903

  

  35869904

  

  35869905

  

  35870652

  

  35870653

  

  Popular Name: (4aS,5R)-N-[(1R)-1-methylpropyl]-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxami (4aS,5R)-N-[(1R)-1-methylpropyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45955564

  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)	4.29	10.48	-10.36	1	4	0	36	363.505	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35869902
• 35869903
  

  Analogs

  35869904

  

  35869905

  

  35870652

  

  35870653

  

  35893988

  

  Popular Name: (4aS,5R)-N-[(1S)-1-methylpropyl]-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxami (4aS,5R)-N-[(1S)-1-methylpropyl]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45955564

  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)	4.29	10.48	-10.35	1	4	0	36	363.505	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35869903