User Information

• Synonyms (1)
• Vendors (0)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (8)

ZINC31571434

• 31571434

Physical Representations

Activity (Go SEA)

• 4706363
  

  Analogs

  5369728

  

  5369729

  

  31571434

  

  33824550

  

  33824551

  

  Popular Name: 3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one; C14908 3-Ethyl-1,3,4,6,7,11b-hexahydro-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • NCI Plated 2007

    • 49007

  • ChemDB

    • 5014391

  • KEGG via PubChem

    • C14908

  • KEGG-C via PubChem

    • C14908

  • PubChem

    • 12292711

  And 1 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)	2.09	1.82	-49.75	1	4	1	39	290.383	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04706363
• 5369728
  

  Analogs

  5369729

  

  5437338

  

  5437478

  

  31571434

  

  33824550

  

  Popular Name: butyl-dimethoxy-BLAHone butyl-dimethoxy-BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5208444

  • PubChem

    • 69913272
    • 24197077
    • 317154

  • SureChEMBL

    • SCHEMBL6840148

  And 1 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)	3.15	2.22	-51.11	1	4	1	39	318.437	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05369728
• 5369729
  

  Analogs

  5437338

  

  5437478

  

  8552123

  

  31571434

  

  33824550

  

  Popular Name: butyl-dimethoxy-BLAHone butyl-dimethoxy-BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5208444

  • PubChem

    • 24197077
    • 317154

  • SureChEMBL

    • SCHEMBL4412539

  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)	3.15	2.09	-50.06	1	4	1	39	318.437	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05369729
• 5437338
  

  Analogs

  8552123

  

  31571434

  

  33824550

  

  33824551

  

  33824552

  

  Popular Name: dimethoxy-propyl-BLAHone dimethoxy-propyl-BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5213190

  • PubChem

    • 429637
    • 24197344

  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)	2.65	1.95	-49.99	1	4	1	39	304.41	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05437338
• 1558151
  

  Analogs

  3875392

  

  4706362

  

  4706363

  

  5369728

  

  5369729

  

  Popular Name: (3R,11bS)-9,10-dimethoxy-3-propyl-3,4,5,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-5-ium-2-one (3R,11bS)-9,10-dimethoxy-3-propy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5213190

  • PubChem

    • 429637
    • 24197344

  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)	2.65	2.09	-50.59	1	4	1	39	304.41	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01558151
• 4706362
  

  Analogs

  5369728

  

  5369729

  

  31571434

  

  33824550

  

  33824551

  

  Popular Name: 3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one; C14908 3-Ethyl-1,3,4,6,7,11b-hexahydro-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5014391

  • KEGG via PubChem

    • C14908

  • KEGG-C via PubChem

    • C14908

  • PubChem

    • 12292711
    • 241545

  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)	2.09	1.96	-49.9	1	4	1	39	290.383	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04706362
• 5437478
  

  Analogs

  8552123

  

  31571434

  

  33824550

  

  33824551

  

  33824552

  

  Popular Name: ethyl-dimethoxy-methyl-BLAHone ethyl-dimethoxy-methyl-BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-5647998057
    • MCULE-8705177202

  • ChemDB

    • 5213556

  • PubChem

    • 429679
    • 11913271

  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)	-1.89	3.42	-46.04	0	4	1	35	304.41	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05437478
• 44568
  

  Analogs

  1558151

  

  5369728

  

  5369729

  

  8552123

  

  31571434

  

  Popular Name: (3R,11bS)-3-ethyl-9,10-dimethoxy-5-methyl-1,3,4,6,7,11b-hexahydropyrido[2,1-a]isoquinolin-5-ium-2-on (3R,11bS)-3-ethyl-9,10-dimethoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-5647998057
    • MCULE-8705177202

  • ChemDB

    • 5213556

  • PubChem

    • 429679
    • 11859164

  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)	-1.89	3.34	-47.8	0	4	1	35	304.41	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00044568