User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC41735165

• 41735165

Physical Representations

Activity (Go SEA)

• 41726873
  

  Analogs

  41726878

  

  41726883

  

  41726887

  

  41726893

  

  41726897

  

  Popular Name: 1,2-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-amine 1,2-dimethyl-4,5,6,7-tetrahydro-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-014-855-920

  • Enamine Building Blocks

    • EN300-63832

  • Molport BB

    • MolPort-014-855-920

  • Ryan Scientific BB

    • 000-43227

  • PubChem

    • 52170556

  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)	-0.62	4.22	-38.83	3	2	1	33	165.26	0	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.62	3.91	-5.08	2	2	0	31	164.252	0	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41726873
• 41726878
  

  Analogs

  41726883

  

  41726887

  

  41726893

  

  41726897

  

  41726902

  

  Popular Name: 1,2-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-amine 1,2-dimethyl-4,5,6,7-tetrahydro-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-014-855-920

  • Enamine Building Blocks

    • EN300-63832

  • Molport BB

    • MolPort-014-855-920

  • Ryan Scientific BB

    • 000-43227

  • PubChem

    • 52170558

  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)	-0.62	4.2	-38.8	3	2	1	33	165.26	0	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.62	3.88	-4.77	2	2	0	31	164.252	0	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41726878
• 39947717
  

  Analogs

  39947718

  

  41721436

  

  41721440

  

  41721444

  

  41721454

  

  Popular Name: 1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-amine 1-benzyl-2-ethyl-4,5,6,7-tetrahy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-89159

  • Ryan Scientific BB

    • 047-69587

  • PubChem

    • 51922138
    • 47003468

  • Ambinter

    • Amb13952896

  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)	1.55	8.36	-39.52	3	2	1	33	255.385	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.55	8.05	-5.19	2	2	0	31	254.377	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39947717
• 39947718
  

  Analogs

  41721436

  

  41721440

  

  41721444

  

  41721454

  

  41721459

  

  Popular Name: 1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-amine 1-benzyl-2-ethyl-4,5,6,7-tetrahy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-89159

  • Ryan Scientific BB

    • 047-69587

  • PubChem

    • 51922140
    • 47003468

  • Ambinter

    • Amb13952896

  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)	1.55	8.45	-38.82	3	2	1	33	255.385	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.55	8.12	-4.91	2	2	0	31	254.377	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39947718