User Information

• Synonyms (0)
• Vendors (1)
• Annotations (1)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (2)
• Analogs (3)

ZINC37108318

• 37108318

Physical Representations

Activity (Go SEA)

• 19255418
  

  Analogs

  34540758

  

  34540760

  

  36788648

  

  37078392

  

  37078393

  

  Popular Name: 1-Naphthaleneethylamine, beta-dimethylamino-, dihydrobromide; LS-94692; N,N-Dimethyl-1-(1-naphthyl)ethylenediamine dihydrobromide; beta-Dimethylamino-1-naphthaleneethylamine dihydrobromide 1-Naphthaleneethylamine, beta-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-004-310-068

  • Leadscope via PubChem

    • LS-94692

  • Enamine BB Make on Demand

    • BBV-034654

  • UORSY BB Make-on-demand

    • BBV-034654

  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	6.52	-129.77	4	2	2	32	216.328	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.89	4.49	-48.28	3	2	1	31	215.32	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.89	6.64	-32.95	3	2	1	30	215.32	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19255418
• 19255420
  

  Analogs

  34540758

  

  34540760

  

  36788648

  

  37078392

  

  37078393

  

  Popular Name: 1-Naphthaleneethylamine, beta-dimethylamino-, dihydrobromide; LS-94692; N,N-Dimethyl-1-(1-naphthyl)ethylenediamine dihydrobromide; beta-Dimethylamino-1-naphthaleneethylamine dihydrobromide 1-Naphthaleneethylamine, beta-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-004-310-068

  • Leadscope via PubChem

    • LS-94692

  • Enamine BB Make on Demand

    • BBV-034654

  • UORSY BB Make-on-demand

    • BBV-034654

  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	6.51	-129.93	4	2	2	32	216.328	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.89	4.46	-48.24	3	2	1	31	215.32	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.89	6.34	-32.68	3	2	1	30	215.32	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19255420
• 19994159
  

  Analogs

  21789252

  

  21789256

  

  21789261

  

  21805225

  

  21813368

  

  Popular Name: (2R)-2-[(3R,5S)-3,5-dimethyl-1-piperidyl]-2-(2-naphthyl)ethanamine (2R)-2-[(3R,5S)-3,5-dimethyl-1-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43078573

  • UORSY BB Make-on-demand

    • BBR-014327

  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)	3.54	9.74	-131.07	4	2	2	32	284.447	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.54	9.63	-31.84	3	2	1	30	283.439	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.54	7.69	-50.59	3	2	1	31	283.439	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19994159