User Information

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

ZINC62973973

• 62973973

Physical Representations

Activity (Go SEA)

• 44723100
  

  Analogs

  62973973

  

  62973979

  

  62973980

  

  62979636

  

  62979637

  

  Popular Name: (3S)-1-cyclopropyl-N-(2-morpholinoethyl)pyrrolidin-3-amine (3S)-1-cyclopropyl-N-(2-morpholi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61848947

  • Enamine BB Make on Demand

    • BBV-36771582

  • UORSY BB Make-on-demand

    • BBV-36771582

  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)	0.49	2.55	-32.59	2	4	1	29	240.371	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.49	0.17	-2.68	1	4	0	28	239.363	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.49	4.82	-84.33	3	4	2	30	241.379	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44723100
• 44723103
  

  Analogs

  62973973

  

  62973979

  

  62973980

  

  62979636

  

  62979637

  

  Popular Name: (3R)-1-cyclopropyl-N-(2-morpholinoethyl)pyrrolidin-3-amine (3R)-1-cyclopropyl-N-(2-morpholi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61848947

  • Enamine BB Make on Demand

    • BBV-36771582

  • UORSY BB Make-on-demand

    • BBV-36771582

  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)	0.49	2.58	-32.08	2	4	1	29	240.371	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.49	0.1	-2.6	1	4	0	28	239.363	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.49	4.86	-84.37	3	4	2	30	241.379	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44723103
• 45650814
  

  Analogs

  62973777

  

  62973778

  

  62973973

  

  62979636

  

  62979709

  

  Popular Name: (3S)-1-isopropyl-N-(3-morpholinopropyl)pyrrolidin-3-amine (3S)-1-isopropyl-N-(3-morpholino…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61979486

  • Enamine BB Make on Demand

    • BBV-33658369

  • UORSY BB Make-on-demand

    • BBV-33658369

  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)	1.07	1.9	-40.99	2	4	1	32	256.414	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.07	0.71	-2.87	1	4	0	28	255.406	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.07	6.59	-194.59	4	4	3	35	258.43	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45650814
• 45650815
  

  Analogs

  62973777

  

  62973778

  

  62973973

  

  62979636

  

  62979709

  

  Popular Name: (3R)-1-isopropyl-N-(3-morpholinopropyl)pyrrolidin-3-amine (3R)-1-isopropyl-N-(3-morpholino…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61979486

  • Enamine BB Make on Demand

    • BBV-33658369

  • UORSY BB Make-on-demand

    • BBV-33658369

  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)	1.07	1.86	-41.69	2	4	1	32	256.414	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.07	0.71	-2.55	1	4	0	28	255.406	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.07	6.49	-193.34	4	4	3	35	258.43	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45650815