User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC43430869

• 43430869

Physical Representations

Activity (Go SEA)

• 37304404
  

  Analogs

  43430869

  

  43430870

  

  43433744

  

  43433746

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43787147

  • UORSY BB Make-on-demand

    • BBV-27261604

  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)	4.08	7.96	-41.91	2	4	1	52	410.126	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.08	6.74	-5.89	1	4	0	48	409.118	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37304404
• 37313010
  

  Analogs

  43430821

  

  43430822

  

  43430869

  

  43430870

  

  43433744

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43788444

  • UORSY BB Make-on-demand

    • BBV-27262902

  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)	4.50	8.67	-42.78	2	4	1	52	424.153	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.50	7.51	-8.06	1	4	0	48	423.145	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37313010
• 37313006
  

  Analogs

  43430821

  

  43430822

  

  43430869

  

  43430870

  

  43433744

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43788444

  • UORSY BB Make-on-demand

    • BBV-27262902

  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)	4.50	8.65	-43.14	2	4	1	52	424.153	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.50	7.53	-6.34	1	4	0	48	423.145	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37313006
• 37313007
  

  Analogs

  43430821

  

  43430822

  

  43430869

  

  43430870

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43788444

  • UORSY BB Make-on-demand

    • BBV-27262902

  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)	4.50	8.72	-36.55	2	4	1	52	424.153	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.50	7.53	-6.32	1	4	0	48	423.145	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37313007
• 37313009
  

  Analogs

  43430821

  

  43430822

  

  43430869

  

  43430870

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43788444

  • UORSY BB Make-on-demand

    • BBV-27262902

  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)	4.50	8.7	-39.35	2	4	1	52	424.153	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.50	7.46	-7.94	1	4	0	48	423.145	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37313009
• 8326303
  

  Analogs

  8327049

  

  34991601

  

  34991602

  

  43430869

  

  43430870

  

  Popular Name: 2-[(3,5-dibromo-2-ethoxy-phenyl)methylamino]butan-1-ol 2-[(3,5-dibromo-2-ethoxy-phenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ZereneX Building Blocks

    • E/7083435

  • Scientific Exchange (make on demand)

    • M-873632

  • ChemDB

    • 7102654

  • PubChem

    • 17292084
    • 40726333

  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)	3.64	-3.56	-36.14	3	3	1	46	382.116	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08326303
• 8327049
  

  Analogs

  34991601

  

  34991602

  

  43430869

  

  43430870

  

  8326303

  

  Popular Name: 2-[(3,5-dibromo-2-ethoxy-phenyl)methylamino]butan-1-ol 2-[(3,5-dibromo-2-ethoxy-phenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ZereneX Building Blocks

    • E/7083435

  • Scientific Exchange (make on demand)

    • M-873632

  • ChemDB

    • 7102654

  • PubChem

    • 17292084
    • 40726837

  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)	3.64	-3.23	-37.81	3	3	1	46	382.116	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08327049
• 37250885
  

  Analogs

  43430869

  

  43430870

  

  Popular Name: 2-[(3,5-dibromo-2-ethoxy-phenyl)methylamino]acetic 2-[(3,5-dibromo-2-ethoxy-phenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43774194

  • Enamine BB Make on Demand

    • BBV-27248616

  • UORSY BB Make-on-demand

    • BBV-27248616

  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)	1.74	7.01	-36.92	2	4	0	66	367.037	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.74	5.66	-43.98	1	4	-1	61	366.029	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37250885
• 34991985
  

  Analogs

  34991986

  

  43430869

  

  43430870

  

  13724942

  

  Popular Name: (2S)-N-[(3,5-dibromo-2-ethoxy-phenyl)methyl]-3-methyl-butan-2-amine (2S)-N-[(3,5-dibromo-2-ethoxy-ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43221068

  • Enamine BB Make on Demand

    • BBV-27101276

  • UORSY BB Make-on-demand

    • BBV-27101276

  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)	4.86	8.73	-37.3	2	2	1	26	380.144	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34991985