User Information

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

ZINC45666129

• 45666129

Physical Representations

Activity (Go SEA)

• 20082072
  

  Analogs

  22162866

  

  22162869

  

  45665588

  

  45665590

  

  45665632

  

  Popular Name: (2R)-2-(4-propylpiperazin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine (2R)-2-(4-propylpiperazin-1-yl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43180458
    • 28606210

  • Enamine BB Make on Demand

    • BBV-32837863

  • UORSY BB Make-on-demand

    • BBV-32837863

  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)	2.70	9.24	-116.65	4	3	2	35	291.483	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.70	6.93	-47.66	3	3	1	34	290.475	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20082072
• 20082074
  

  Analogs

  22162866

  

  22162869

  

  45665588

  

  45665590

  

  45665632

  

  Popular Name: (2S)-2-(4-propylpiperazin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine (2S)-2-(4-propylpiperazin-1-yl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43180458
    • 28606213

  • Enamine BB Make on Demand

    • BBV-32837863

  • UORSY BB Make-on-demand

    • BBV-32837863

  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)	2.70	8.08	-110.86	4	3	2	35	291.483	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.70	5.69	-48.08	3	3	1	34	290.475	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20082074
• 22162869
  

  Analogs

  45665588

  

  45665590

  

  45665632

  

  45666127

  

  45666129

  

  Popular Name: (2S)-2-(2,4-dimethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine (2S)-2-(2,4-dimethylphenyl)-2-(4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30067594
    • 16781351

  • Enamine BB Make on Demand

    • BBV-32839975

  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)	2.32	6.76	-119.68	4	3	2	35	277.456	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.32	4.36	-46.84	3	3	1	34	276.448	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22162869
• 22162866
  

  Analogs

  22162869

  

  45665588

  

  45665590

  

  45665632

  

  45666127

  

  Popular Name: (2R)-2-(2,4-dimethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine (2R)-2-(2,4-dimethylphenyl)-2-(4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30067590
    • 16781351

  • Enamine BB Make on Demand

    • BBV-32839975

  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)	2.32	6.72	-119.61	4	3	2	35	277.456	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.32	4.35	-47.13	3	3	1	34	276.448	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22162866
• 37095787
  

  Analogs

  38638679

  

  38638680

  

  45666127

  

  45666129

  

  45666195

  

  Popular Name: (1R)-N-isopropyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (1R)-N-isopropyl-N-propyl-1-(2,4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43269369

  • UORSY BB Make-on-demand

    • BBV-14873165

  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)	3.48	8.37	-117.72	4	2	2	32	264.457	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.48	8.37	-48.04	3	2	1	31	263.449	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.48	8.2	-26.43	3	2	1	30	263.449	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37095787
• 37095788
  

  Analogs

  38638679

  

  38638680

  

  45665632

  

  45666127

  

  45666129

  

  Popular Name: (1S)-N-isopropyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (1S)-N-isopropyl-N-propyl-1-(2,4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43269369

  • UORSY BB Make-on-demand

    • BBV-14873165

  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)	3.48	7.6	-119.27	4	2	2	32	264.457	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.48	7.61	-46.33	3	2	1	31	263.449	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.48	8.14	-25.48	3	2	1	30	263.449	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37095788
• 37095781
  

  Analogs

  38638679

  

  38638680

  

  45665632

  

  45666127

  

  45666129

  

  Popular Name: (1R)-1-(2,4-dimethylphenyl)-N-isopropyl-N-propyl-ethane-1,2-diamine (1R)-1-(2,4-dimethylphenyl)-N-is…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43269366

  • UORSY BB Make-on-demand

    • BBV-14873162

  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)	3.11	6.96	-122.2	4	2	2	32	250.43	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.11	7.98	-27.04	3	2	1	30	249.422	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.11	5.15	-43.95	3	2	1	31	249.422	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37095781
• 37095782
  

  Analogs

  38638679

  

  38638680

  

  45665632

  

  45666127

  

  45666129

  

  Popular Name: (1S)-1-(2,4-dimethylphenyl)-N-isopropyl-N-propyl-ethane-1,2-diamine (1S)-1-(2,4-dimethylphenyl)-N-is…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43269366

  • UORSY BB Make-on-demand

    • BBV-14873162

  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)	3.11	7.59	-120.31	4	2	2	32	250.43	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.11	7.21	-29.38	3	2	1	30	249.422	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.11	6.84	-44.95	3	2	1	31	249.422	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37095782
• 37094656
  

  Analogs

  45666127

  

  45666129

  

  45666195

  

  45666197

  

  Popular Name: (1S)-N-ethyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (1S)-N-ethyl-N-propyl-1-(2,4,6-t…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43268549

  • UORSY BB Make-on-demand

    • BBV-14872324

  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)	3.19	8.01	-121.55	4	2	2	32	250.43	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.19	7.97	-48.72	3	2	1	31	249.422	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.19	6.57	-29.35	3	2	1	30	249.422	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37094656