User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC34991077

• 34991077

Physical Representations

Activity (Go SEA)

• 45364383
  

  Analogs

  21807793

  

  34990780

  

  Popular Name: 1-(2,5-dimethylphenyl)-N-[[(1R,3S)-3-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methyl]meth 1-(2,5-dimethylphenyl)-N-[[(1R,3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL597283

  • ChEMBL19

    • CHEMBL2338166
    • CHEMBL597283

  • PubChem

    • 46231504

  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)	6.25	14.84	-101.17	4	2	2	33	380.62	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45364383
• 45364386
  

  Analogs

  21807793

  

  34990780

  

  Popular Name: 1-(2,5-dimethylphenyl)-N-[[(1S,3S)-3-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methyl]meth 1-(2,5-dimethylphenyl)-N-[[(1S,3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL597283

  • ChEMBL19

    • CHEMBL2338166
    • CHEMBL597283

  • PubChem

    • 46231504

  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)	6.25	14.58	-107.53	4	2	2	33	380.62	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45364386
• 45364389
  

  Analogs

  21807793

  

  34990780

  

  Popular Name: 1-(2,5-dimethylphenyl)-N-[[(1R,3R)-3-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methyl]meth 1-(2,5-dimethylphenyl)-N-[[(1R,3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL597283

  • ChEMBL19

    • CHEMBL2338166
    • CHEMBL597283

  • PubChem

    • 46231504

  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)	6.25	14.57	-106.74	4	2	2	33	380.62	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45364389
• 70130813
  

  Analogs

  34991077

  

  Popular Name: N-[(2,5-dimethylphenyl)methyl]hexan-1-amine N-[(2,5-dimethylphenyl)methyl]he…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60657457

  • Enamine BB Make on Demand

    • BBV-37202240

  • UORSY BB Make-on-demand

    • BBV-37202240

  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)	4.77	9.64	-38.62	2	1	1	17	220.38	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC70130813
• 7261083
  

  Analogs

  34991077

  

  37984965

  

  Popular Name: hexyl[(2-methylphenyl)methyl]amine hexyl[(2-methylphenyl)methyl]amine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-000-938-423

  • Enamine Building Blocks

    • EN300-168559

  • Molport BB

    • MolPort-000-938-423

  • ZereneX Building Blocks

    • E/7084725

  • Scientific Exchange (make on demand)

    • M-875664

  And 6 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)	4.34	0.88	-38.47	2	1	1	16	206.353	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07261083
• 4322672
  

  Analogs

  34991077

  

  34991372

  

  34991373

  

  42206025

  

  Popular Name: 1-(2,3,4,5,6-pentamethylbenzyl)azepane 1-(2,3,4,5,6-pentamethylbenzyl)a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5843873

  • Molport

    • MolPort-002-895-340

  • Maybridge

    • CD04377

  • Maybridge Hit Finder

    • CD04377

  • ChemDB

    • 4745049

  And 2 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)	5.11	2.88	-32.71	1	1	1	4	260.445	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04322672
• 971538
  

  Analogs

  4322051

  

  34991077

  

  34991372

  

  34991373

  

  34991557

  

  Popular Name: 1-[2,3,5,6-tetramethyl-4-(1-piperidinylmethyl)benzyl]piperidine 1-[2,3,5,6-tetramethyl-4-(1-pipe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AM-814/41091016

  • Molport

    • MolPort-003-820-480

  • PubChem

    • 6973882
    • 1203568

  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)	4.87	2.44	-77.14	2	2	2	8	330.56	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00971538
• 4322051
  

  Analogs

  34991077

  

  34991372

  

  34991373

  

  34991557

  

  34991558

  

  Popular Name: 1-(2,3,4,5,6-pentamethylbenzyl)piperidine 1-(2,3,4,5,6-pentamethylbenzyl)p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 5844331

  • Molport

    • MolPort-002-894-376

  • Maybridge

    • CD00077

  • ChemDB

    • 4743931

  • PubChem

    • 2803011

  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)	4.60	10.59	-32.28	1	1	1	4	246.418	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04322051
• 27980798
  

  Analogs

  34991077

  

  Popular Name: N,N'-bis[6-(o-tolylmethylamino)hexyl]octane-1,8-diamine N,N'-bis[6-(o-tolylmethylamino)h…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50405739

  • ChEMBL12

    • CHEMBL168616

  • ChEMBL19

    • CHEMBL168616

  • PubChem

    • 44380591

  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)	8.02	20.67	-215.36	8	4	4	66	554.952	27	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	8.02	19.3	-149.83	7	4	3	62	553.944	27	↓ MOL2 SDF SMILES Flexibase

  More about ZINC27980798
• 21520690
  

  Analogs

  21804076

  

  34991070

  

  34991077

  

  Popular Name: hexyl[(3-methylphenyl)methyl]amine hexyl[(3-methylphenyl)methyl]amine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-168563

  • PubChem

    • 29565798

  • AKOS (make-on-demand)

    • AKOS002640404

  • Enamine BB Make on Demand

    • BBR-051698

  • UORSY BB Make-on-demand

    • BBR-051698

  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)	4.37	8.98	-39.93	2	1	1	17	206.353	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21520690