User Information

• Synonyms (0)
• Vendors (0)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC00384764

• 384764

Physical Representations

Activity (Go SEA)

• 1635039
  

  Analogs

  384764

  

  384765

  

  Popular Name: (3-methylaminophenyl)BLAHol (3-methylaminophenyl)BLAHol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • NCI Plated 2007

    • 656156

  • BindingDB.org

    • 50037459

  • ChEMBL12

    • CHEMBL49559

  • ChEMBL19

    • CHEMBL49559

  • ChemDB

    • 4946194

  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)	2.24	-1.74	-14.23	2	5	0	63	294.31	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01635039
• 5502604
  

  Analogs

  384764

  

  384765

  

  Popular Name: (3-dimethylaminophenyl)BLAHone (3-dimethylaminophenyl)BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50037452

  • ChEMBL12

    • CHEMBL275872

  • ChEMBL19

    • CHEMBL275872

  • ChemDB

    • 4945846

  • PubChem

    • 373173

  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)	2.49	-0.02	-14.43	1	5	0	54	308.337	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05502604
• 5580669
  

  Analogs

  384764

  

  Popular Name: (3-aminophenyl)BLAHone (3-aminophenyl)BLAHone

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50037453

  • ChEMBL12

    • CHEMBL299305

  • ChEMBL19

    • CHEMBL299305

  • ChemDB

    • 4946193

  • PubChem

    • 375857

  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)	1.46	-3.59	-21.67	3	5	0	77	280.283	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05580669