User Information

• Synonyms (0)
• Vendors (5)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC21715420

• 21715420

Physical Representations

Activity (Go SEA)

• 21998705
  

  Analogs

  32222696

  

  32222697

  

  34970487

  

  34971410

  

  34971414

  

  Popular Name: 1-(1-Phenyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)ethanone 1-(1-Phenyl-3,4-dihydro-1H-pyrid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Ark Pharm Building Blocks

    • AK140368

  • PubChem

    • 15370124
    • 29932525

  • SureChEMBL

    • SCHEMBL8939319

  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)	3.31	9.11	-11.99	1	3	0	36	290.366	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21998705
• 21998709
  

  Analogs

  32222696

  

  32222697

  

  34970487

  

  34971410

  

  34971414

  

  Popular Name: 1-(1-Phenyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)ethanone 1-(1-Phenyl-3,4-dihydro-1H-pyrid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Ark Pharm Building Blocks

    • AK140368

  • PubChem

    • 15370124
    • 29932529

  • SureChEMBL

    • SCHEMBL8939319

  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)	3.31	9.12	-12.15	1	3	0	36	290.366	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21998709
• 11815610
  

  Analogs

  21715420

  

  21715422

  

  21715494

  

  21715495

  

  21715530

  

  Popular Name: 3-methyl-1-[(1R)-1-(4-methylsulfanylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one 3-methyl-1-[(1R)-1-(4-methylsulf…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20417862

  • Molport

    • MolPort-005-009-500

  • Mcule

    • MCULE-5380683300

  • Collaborative Drug Discovery

    • 477332

  • PubChem

    • 45174560

  And 3 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)	5.36	0.19	-10.64	1	3	0	36	378.541	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11815610
• 11815609
  

  Analogs

  11815610

  

  21715420

  

  21715422

  

  21715494

  

  21715495

  

  Popular Name: 3-methyl-1-[(1S)-1-(4-methylsulfanylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one 3-methyl-1-[(1S)-1-(4-methylsulf…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20417862

  • Molport

    • MolPort-005-009-500

  • Mcule

    • MCULE-5380683300

  • Collaborative Drug Discovery

    • 477332

  • PubChem

    • 45174560

  And 3 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)	5.36	0.2	-10.63	1	3	0	36	378.541	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11815609
• 21715403
  

  Analogs

  21715405

  

  21715420

  

  21715422

  

  34971480

  

  34971481

  

  Popular Name: 3-phenyl-1-[(1S)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one 3-phenyl-1-[(1S)-1-phenyl-1,3,4,…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 32853548

  • Molport

    • MolPort-010-687-397

  • Mcule

    • MCULE-8024405909

  • ChEMBL12

    • CHEMBL592928

  • ChEMBL19

    • CHEMBL592928

  And 3 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)	5.59	13.8	-10.75	1	3	0	36	380.491	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21715403
• 21715405
  

  Analogs

  21715420

  

  21715422

  

  34971480

  

  34971481

  

  34971488

  

  Popular Name: 3-phenyl-1-[(1R)-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one 3-phenyl-1-[(1R)-1-phenyl-1,3,4,…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 32853548

  • Molport

    • MolPort-010-687-397

  • Mcule

    • MCULE-8024405909

  • ChEMBL12

    • CHEMBL592928

  • ChEMBL19

    • CHEMBL592928

  And 3 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)	5.59	13.79	-10.8	1	3	0	36	380.491	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21715405
• 8599898
  

  Analogs

  8599903

  

  21715403

  

  21715405

  

  21715420

  

  21715422

  

  Popular Name: 3-phenyl-1-(p-tolylBLAHyl)-propan-1-one 3-phenyl-1-(p-tolylBLAHyl)-propa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 16348533

  • Molport

    • MolPort-007-885-674

  • Mcule

    • MCULE-5482726058

  • ChEMBL12

    • CHEMBL594805

  • ChEMBL19

    • CHEMBL594805

  And 4 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)	6.04	14.46	-10.27	1	3	0	36	394.518	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08599898
• 8599903
  

  Analogs

  21715403

  

  21715405

  

  21715420

  

  21715422

  

  21715494

  

  Popular Name: 3-phenyl-1-(p-tolylBLAHyl)-propan-1-one 3-phenyl-1-(p-tolylBLAHyl)-propa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 16348533

  • Molport

    • MolPort-007-885-674

  • Mcule

    • MCULE-5482726058

  • ChEMBL12

    • CHEMBL594805

  • ChEMBL19

    • CHEMBL594805

  And 4 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)	6.04	14.46	-10.23	1	3	0	36	394.518	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08599903
• 12075776
  

  Analogs

  12075779

  

  21715420

  

  21715422

  

  21715492

  

  21715493

  

  Popular Name: cyclobutyl-[(1S)-1-(4-ethylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone cyclobutyl-[(1S)-1-(4-ethylpheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 20467169

  • Molport

    • MolPort-005-031-308

  • ChemBridge

    • 21795902

  • Mcule

    • MCULE-8462952256

  • Collaborative Drug Discovery

    • 489434

  And 4 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)	5.23	0.31	-10.41	1	3	0	36	358.485	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12075776