User Information

• Synonyms (0)
• Vendors (8)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (18)

ZINC36723306

• 36723306

Physical Representations

Activity (Go SEA)

• 37085158
  

  Analogs

  41689393

  

  41689396

  

  41689409

  

  41689412

  

  35388661

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43725832

  • UORSY BB Make-on-demand

    • BBV-27199649

  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)	1.52	3.32	-51.22	3	6	1	82	284.332	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.52	2.12	-11	2	6	0	77	283.324	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37085158
• 36666669
  

  Analogs

  36723306

  

  41689393

  

  41689396

  

  1702840

  

  Popular Name: 2-[[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]amino]acetic 2-[[(1S)-1-(3,4,5-trimethoxyphen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43363408

  • Enamine BB Make on Demand

    • BBV-5762271

  • UORSY BB Make-on-demand

    • BBV-5762271

  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)	0.02	5.12	-39.87	2	6	0	84	269.297	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36666669
• 36666670
  

  Analogs

  36723306

  

  41689393

  

  41689396

  

  1702840

  

  Popular Name: 2-[[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]amino]acetic 2-[[(1R)-1-(3,4,5-trimethoxyphen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43363408

  • Enamine BB Make on Demand

    • BBV-5762271

  • UORSY BB Make-on-demand

    • BBV-5762271

  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)	0.02	5.11	-40.04	2	6	0	84	269.297	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36666670
• 36722821
  

  Analogs

  36723302

  

  36723306

  

  19885165

  

  Popular Name: 2-[(4-hydroxy-3,5-dimethoxy-phenyl)methylamino]acetic 2-[(4-hydroxy-3,5-dimethoxy-phen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43135050

  • Enamine BB Make on Demand

    • BBV-1190872

  • UORSY BB Make-on-demand

    • BBV-1190872

  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)	-0.81	2.36	-43.79	3	6	0	95	241.243	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36722821
• 36723231
  

  Analogs

  36723302

  

  36723306

  

  19088248

  

  Popular Name: 2-[(3,4-dihydroxyphenyl)methylamino]acetic 2-[(3,4-dihydroxyphenyl)methylam…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43135200

  • Enamine BB Make on Demand

    • BBV-1191063

  • UORSY BB Make-on-demand

    • BBV-1191063

  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)	-1.14	0.43	-41.8	4	5	0	97	197.19	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36723231
• 36723274
  

  Analogs

  36723302

  

  36723306

  

  Popular Name: 2-[(3-hydroxy-4-methoxy-phenyl)methylamino]acetic 2-[(3-hydroxy-4-methoxy-phenyl)m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43135212

  • Enamine BB Make on Demand

    • BBV-1191082

  • UORSY BB Make-on-demand

    • BBV-1191082

  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)	-0.83	2.49	-40.83	3	5	0	86	211.217	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36723274
• 36723304
  

  Analogs

  36723306

  

  36723302

  

  Popular Name: 2-[(4-hydroxy-3-methoxy-phenyl)methylamino]acetic 2-[(4-hydroxy-3-methoxy-phenyl)m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43135228

  • SureChEMBL

    • SCHEMBL2323653

  • Enamine BB Make on Demand

    • BBV-1191103

  • UORSY BB Make-on-demand

    • BBV-1191103

  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)	-0.83	2.48	-41.11	3	5	0	86	211.217	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36723304
• 34625220
  

  Analogs

  34959433

  

  36723302

  

  36723306

  

  40473455

  

  43446324

  

  Popular Name: ethyl 2-{[(3,4-dimethoxyphenyl)methyl]amino}acetate ethyl 2-{[(3,4-dimethoxyphenyl)m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 36748079

  • Molport

    • MolPort-011-931-729

  • Chembo Pharma

    • KB-272467

  • Enamine

    • Z266132652

  • Enamine Building Blocks

    • EN300-84833

  And 10 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)	1.38	5.57	-51.61	2	5	1	61	254.306	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.38	4.22	-10.72	1	5	0	57	253.298	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34625220
• 32113874
  

  Analogs

  35388661

  

  35388663

  

  36723302

  

  36723306

  

  40440282

  

  Popular Name: 2-[allyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic 2-[allyl-[(3,4-dimethoxyphenyl)m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39364525

  • Enamine BB Make on Demand

    • BBV-42108044

  • UORSY BB Make-on-demand

    • BBV-42108044

  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)	0.37	6.56	-40.28	1	5	0	63	265.309	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32113874
• 32116325
  

  Analogs

  36723306

  

  41689393

  

  41689396

  

  Popular Name: 2-[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetic 2-[methyl-[(3,4,5-trimethoxyphen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39367539

  • Enamine BB Make on Demand

    • BBV-45680270

  • UORSY BB Make-on-demand

    • BBV-45680270

  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)	-0.29	5.44	-45	1	6	0	72	269.297	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32116325
• 32127558
  

  Analogs

  35388661

  

  35388663

  

  35391161

  

  35391162

  

  36723302

  

  Popular Name: 2-[(3,4-dimethoxyphenyl)methyl-isobutyl-amino]acetic 2-[(3,4-dimethoxyphenyl)methyl-i…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39381128

  • Enamine BB Make on Demand

    • BBV-40806034

  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)	0.84	7.69	-42.59	1	5	0	63	281.352	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32127558
• 32128787
  

  Analogs

  36723306

  

  41689393

  

  41689396

  

  Popular Name: 2-[ethyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetic 2-[ethyl-[(3,4,5-trimethoxypheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39382774

  • Enamine BB Make on Demand

    • BBV-40811330

  • UORSY BB Make-on-demand

    • BBV-40811330

  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	5.84	-43.28	1	6	0	72	283.324	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32128787
• 32158853
  

  Analogs

  35388661

  

  35388663

  

  36723302

  

  36723306

  

  40466263

  

  Popular Name: 2-[cyclopropyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetic 2-[cyclopropyl-[(3,4,5-trimethox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39404420

  • Enamine BB Make on Demand

    • BBV-40811279

  • UORSY BB Make-on-demand

    • BBV-40811279

  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)	0.07	6.6	-44.15	1	6	0	72	295.335	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32158853
• 32158855
  

  Analogs

  36723302

  

  36723306

  

  40473455

  

  41689393

  

  41689396

  

  Popular Name: 2-[allyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetic 2-[allyl-[(3,4,5-trimethoxypheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39404422

  • Enamine BB Make on Demand

    • BBV-42507975

  • UORSY BB Make-on-demand

    • BBV-42507975

  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)	0.35	6.72	-39.6	1	6	0	72	295.335	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32158855
• 32216958
  

  Analogs

  35388661

  

  35388663

  

  36723302

  

  36723306

  

  40473455

  

  Popular Name: 2-[isobutyl-[(3,4,5-trimethoxyphenyl)methyl]amino]acetic 2-[isobutyl-[(3,4,5-trimethoxyph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39449943

  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)	0.83	7.25	-40.93	1	6	0	72	311.378	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32216958
• 32216961
  

  Analogs

  32216964

  

  35388661

  

  35388663

  

  36723302

  

  36723306

  

  Popular Name: 2-[[(1R)-1-methylpropyl]-[(3,4,5-trimethoxyphenyl)methyl]amino]acetic 2-[[(1R)-1-methylpropyl]-[(3,4,5…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 67301310
    • 39449947

  • SureChEMBL

    • SCHEMBL2164198

  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)	0.91	7	-40.92	1	6	0	72	311.378	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32216961
• 32216964
  

  Analogs

  35388661

  

  35388663

  

  36723302

  

  36723306

  

  40473455

  

  Popular Name: 2-[[(1S)-1-methylpropyl]-[(3,4,5-trimethoxyphenyl)methyl]amino]acetic 2-[[(1S)-1-methylpropyl]-[(3,4,5…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 67301310
    • 39449951

  • SureChEMBL

    • SCHEMBL2164198

  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)	0.91	7.1	-47.55	1	6	0	72	311.378	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32216964
• 19885165
  

  Analogs

  19885167

  

  19885172

  

  19885214

  

  19885753

  

  32228987

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-120824

  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)	0.99	4.59	-56.63	2	6	1	71	270.305	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.99	3.18	-12.93	1	6	0	66	269.297	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19885165