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• Synonyms (0)
• Vendors (0)
• Annotations (1)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC20225698

• 20225698

Physical Representations

Activity (Go SEA)

• 42906499
  

  Analogs

  32049887

  

  32049885

  

  Popular Name: 2-[[(1S)-2-amino-1-(p-tolyl)ethyl]-(2-hydroxyethyl)amino]ethanol 2-[[(1S)-2-amino-1-(p-tolyl)ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33272440

  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)	-0.09	-0.55	-112.26	6	4	2	73	240.347	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	-0.09	-2.48	-40.35	5	4	1	71	239.339	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	-0.09	-1	-27.36	5	4	1	71	239.339	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42906499
• 42906501
  

  Analogs

  32049887

  

  32049885

  

  Popular Name: 2-[[(1R)-2-amino-1-(p-tolyl)ethyl]-(2-hydroxyethyl)amino]ethanol 2-[[(1R)-2-amino-1-(p-tolyl)ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33272440

  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)	-0.09	0.4	-120.73	6	4	2	73	240.347	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	-0.09	-0.72	-44.96	5	4	1	71	239.339	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	-0.09	-0.49	-29.45	5	4	1	71	239.339	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42906501
• 42906635
  

  Analogs

  20225538

  

  Popular Name: 2-[[(1S)-2-amino-1-(p-tolyl)ethyl]-isopropyl-amino]ethanol 2-[[(1S)-2-amino-1-(p-tolyl)ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33272464

  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)	1.22	3.45	-119.43	5	3	2	52	238.375	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.22	2.24	-42.3	4	3	1	51	237.367	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.22	4.3	-26.8	4	3	1	51	237.367	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42906635
• 42906638
  

  Analogs

  20225538

  

  Popular Name: 2-[[(1R)-2-amino-1-(p-tolyl)ethyl]-isopropyl-amino]ethanol 2-[[(1R)-2-amino-1-(p-tolyl)ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33272464

  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)	1.22	3.04	-123.07	5	3	2	52	238.375	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.22	2.29	-42.14	4	3	1	51	237.367	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.22	2.66	-28.93	4	3	1	51	237.367	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42906638