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• Synonyms (0)
• Vendors (1)
• Annotations (0)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC43895178

• 43895178

Physical Representations

Activity (Go SEA)

• 36785213
  

  Analogs

  43894748

  

  43894750

  

  43894967

  

  43894969

  

  43895176

  

  Popular Name: (1R)-N'-[(1S)-1-cyclopropylethyl]-1-(2,5-dimethylphenyl)-N'-methyl-ethane-1,2-diamine (1R)-N'-[(1S)-1-cyclopropylethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43569065

  • Enamine BB Make on Demand

    • BBV-25196637

  • UORSY BB Make-on-demand

    • BBV-25196637

  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)	1.48	8.52	-32.11	3	2	1	30	247.406	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.48	8.27	-121.55	4	2	2	32	248.414	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36785213
• 36785212
  

  Analogs

  43894748

  

  43894750

  

  43894967

  

  43894969

  

  43895176

  

  Popular Name: (1S)-N'-[(1S)-1-cyclopropylethyl]-1-(2,5-dimethylphenyl)-N'-methyl-ethane-1,2-diamine (1S)-N'-[(1S)-1-cyclopropylethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43569065

  • Enamine BB Make on Demand

    • BBV-25196637

  • UORSY BB Make-on-demand

    • BBV-25196637

  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)	1.48	8.35	-35.71	3	2	1	30	247.406	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.48	8.63	-127.28	4	2	2	32	248.414	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36785212
• 19726005
  

  Analogs

  19726006

  

  43895176

  

  43895178

  

  43903218

  

  43903221

  

  Popular Name: 1-[(2S)-2-(2,5-dimethylphenyl)-2-(1-piperidyl)ethyl]piperazine 1-[(2S)-2-(2,5-dimethylphenyl)-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28292045

  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)	2.98	10.29	-96.11	3	3	2	24	303.494	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.98	8.88	-29.65	2	3	1	20	302.486	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19726005
• 19726006
  

  Analogs

  43894967

  

  43894969

  

  43895176

  

  43895178

  

  43903218

  

  Popular Name: 1-[(2R)-2-(2,5-dimethylphenyl)-2-(1-piperidyl)ethyl]piperazine 1-[(2R)-2-(2,5-dimethylphenyl)-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28292047

  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)	2.98	8.71	-97.46	3	3	2	24	303.494	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.98	7.3	-29.77	2	3	1	20	302.486	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19726006
• 19725972
  

  Analogs

  43895176

  

  43895178

  

  43895565

  

  43895567

  

  43903218

  

  Popular Name: 1-[(2R)-2-(2,5-dimethylphenyl)-2-pyrrolidin-1-yl-ethyl]piperazine 1-[(2R)-2-(2,5-dimethylphenyl)-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28291979

  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)	2.48	8.35	-93.18	3	3	2	24	289.467	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.48	6.96	-29.21	2	3	1	20	288.459	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19725972