User Information

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

ZINC32127560

• 32127560

Physical Representations

Activity (Go SEA)

• 35388569
  

  Analogs

  37085101

  

  37085251

  

  37085530

  

  37085650

  

  32107804

  

  Popular Name: (2S)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic (2S)-2-[(2,5-dimethoxyphenyl)met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL232024

  • eMolecules

    • 36830373

  • Molport

    • MolPort-008-430-798

  • Princeton BioMolecular Research

    • OSSL_371946

  • PubChem

    • 51690893

  And 5 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)	-0.34	4.52	-32.87	2	5	0	75	239.271	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35388569
• 35388570
  

  Analogs

  37085101

  

  37085251

  

  37085530

  

  37085650

  

  32107804

  

  Popular Name: (2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic (2R)-2-[(2,5-dimethoxyphenyl)met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL232024

  • eMolecules

    • 36830373

  • Molport

    • MolPort-008-430-798

  • Princeton BioMolecular Research

    • OSSL_371946

  • PubChem

    • 51690895

  And 5 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)	-0.34	4.47	-33.26	2	5	0	75	239.271	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35388570
• 35391315
  

  Analogs

  36886027

  

  37102422

  

  37102424

  

  37102425

  

  37102812

  

  Popular Name: (2S)-2-[(2,5-dimethoxyphenyl)methylamino]-3-methyl-butanoic (2S)-2-[(2,5-dimethoxyphenyl)met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL232004

  • eMolecules

    • 42794958

  • Molport

    • MolPort-008-430-733

  • Molport BB

    • MolPort-008-430-733

  • Princeton BioMolecular Research

    • OSSL_371871

  And 5 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)	0.44	5.76	-29.73	2	5	0	75	267.325	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35391315
• 35391316
  

  Analogs

  36886027

  

  37102422

  

  37102424

  

  37102425

  

  37102812

  

  Popular Name: (2R)-2-[(2,5-dimethoxyphenyl)methylamino]-3-methyl-butanoic (2R)-2-[(2,5-dimethoxyphenyl)met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL232004

  • eMolecules

    • 42794958

  • Molport

    • MolPort-008-430-733

  • Molport BB

    • MolPort-008-430-733

  • Princeton BioMolecular Research

    • OSSL_371871

  And 5 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)	0.44	5.8	-33.61	2	5	0	75	267.325	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35391316
• 36722926
  

  Analogs

  36723051

  

  36723053

  

  36886027

  

  32107812

  

  32113875

  

  Popular Name: 2-[(2,5-dimethoxyphenyl)methylamino]acetic 2-[(2,5-dimethoxyphenyl)methylam…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 51869366
    • 43135095

  • Enamine BB Make on Demand

    • BBV-1190932

  • UORSY BB Make-on-demand

    • BBV-1190932

  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)	-0.13	4	-34.25	2	5	0	75	225.244	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36722926
• 40071835
  

  Analogs

  36886027

  

  32127560

  

  32155550

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 30248235

  • Enamine

    • Z355709106

  • Mcule

    • MCULE-4865508759

  • PubChem

    • 51936727
    • 45876666

  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)	2.39	8.26	-33.27	1	5	1	49	294.371	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.39	6.45	-7.94	0	5	0	48	293.363	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40071835
• 40473458
  

  Analogs

  37085530

  

  32113875

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 29645065

  • Molport

    • MolPort-009-140-802

  • Enamine

    • Z140600982

  • Mcule Make-on-demand

    • MCULE-2139205581

  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)	1.42	6.58	-40.34	1	5	1	49	254.306	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.42	4.33	-10.1	0	5	0	48	253.298	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40473458
• 13495657
  

  Analogs

  32104351

  

  32106250

  

  32106266

  

  32107799

  

  32107813

  

  Popular Name: [(2-Methoxy-benzyl)-methyl-amino]-acetic acid [(2-Methoxy-benzyl)-methyl-amino…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-002-679-027

  • Apexmol Building Blocks

    • AM100948

  • Asinex

    • BAS12780118

  • Asinex Building Blocks

    • BAS12780118

  • Chembo Pharma

    • KB-05958

  And 13 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)	0.08	5.65	-35.19	1	4	0	54	209.245	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13495657