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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (1)
• Analogs (5)

ZINC35633835

• 35633835

Physical Representations

Activity (Go SEA)

• 42461375
  

  Analogs

  35633320

  

  35633319

  

  Popular Name: N-[(2R)-2-cyanopropyl]-4-[(1S)-1-(ethylamino)ethyl]-N-methyl-benzenesulfonamide N-[(2R)-2-cyanopropyl]-4-[(1S)-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61578006

  • Enamine BB Make on Demand

    • BBV-33205893

  • UORSY BB Make-on-demand

    • BBV-33205893

  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)	2.28	5.56	-53.45	2	5	1	78	310.443	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.28	4.47	-11.52	1	5	0	73	309.435	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42461375
• 42461377
  

  Analogs

  35633320

  

  35633319

  

  Popular Name: N-[(2R)-2-cyanopropyl]-4-[(1R)-1-(ethylamino)ethyl]-N-methyl-benzenesulfonamide N-[(2R)-2-cyanopropyl]-4-[(1R)-1…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61578006

  • Enamine BB Make on Demand

    • BBV-33205893

  • UORSY BB Make-on-demand

    • BBV-33205893

  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)	2.28	5.55	-52.08	2	5	1	78	310.443	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.28	4.46	-11.44	1	5	0	73	309.435	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42461377
• 35633834
  

  Analogs

  35633835

  

  42461375

  

  42461377

  

  35633815

  

  35633814

  

  Popular Name: N-ethyl-4-[(1S)-1-(ethylamino)ethyl]-N-isobutyl-benzenesulfonamide N-ethyl-4-[(1S)-1-(ethylamino)et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43507099

  • Enamine BB Make on Demand

    • BBV-24914315

  • UORSY BB Make-on-demand

    • BBV-24914315

  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)	3.24	6.79	-48.36	2	4	1	54	313.487	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.24	5.71	-7.53	1	4	0	49	312.479	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35633834
• 35633815
  

  Analogs

  35633834

  

  35633835

  

  42461375

  

  42461377

  

  35633814

  

  Popular Name: 4-[(1R)-1-(ethylamino)ethyl]-N-isobutyl-N-methyl-benzenesulfonamide 4-[(1R)-1-(ethylamino)ethyl]-N-i…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43507089

  • Enamine BB Make on Demand

    • BBV-24914305

  • UORSY BB Make-on-demand

    • BBV-24914305

  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)	2.87	5.97	-47.87	2	4	1	54	299.46	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	4.86	-7.71	1	4	0	49	298.452	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35633815
• 35633814
  

  Analogs

  35633815

  

  35633834

  

  35633835

  

  42461375

  

  42461377

  

  Popular Name: 4-[(1S)-1-(ethylamino)ethyl]-N-isobutyl-N-methyl-benzenesulfonamide 4-[(1S)-1-(ethylamino)ethyl]-N-i…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43507089

  • Enamine BB Make on Demand

    • BBV-24914305

  • UORSY BB Make-on-demand

    • BBV-24914305

  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)	2.87	5.97	-49.02	2	4	1	54	299.46	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.87	4.88	-8.26	1	4	0	49	298.452	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35633814