User Information

• Synonyms (0)
• Vendors (2)
• Annotations (3)
• Representations (2)
• Notes (1)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC35804045

• 35804045

Physical Representations

Vendor Notes

Activity (Go SEA)

• 44725859
  

  Analogs

  35804044

  

  Popular Name: 7-chloro-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]quinolin-4-amine 7-chloro-N-[(3R)-1-cyclopropylpy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61847959

  • Enamine BB Make on Demand

    • BBV-33528599

  • UORSY BB Make-on-demand

    • BBV-33528599

  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)	3.87	8.73	-88.8	3	3	2	31	289.81	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.87	8.32	-45.13	2	3	1	29	288.802	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC44725859
• 45654183
  

  Analogs

  37101514

  

  37101515

  

  Popular Name: 8-chloro-N-[(3S)-1-isopropylpyrrolidin-3-yl]quinolin-5-amine 8-chloro-N-[(3S)-1-isopropylpyrr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61978520

  • Enamine BB Make on Demand

    • BBV-33658987

  • UORSY BB Make-on-demand

    • BBV-33658987

  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)	4.17	8.18	-46.43	2	3	1	29	290.818	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45654183
• 45654185
  

  Analogs

  37101514

  

  37101515

  

  Popular Name: 8-chloro-N-[(3R)-1-isopropylpyrrolidin-3-yl]quinolin-5-amine 8-chloro-N-[(3R)-1-isopropylpyrr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61978520

  • Enamine BB Make on Demand

    • BBV-33658987

  • UORSY BB Make-on-demand

    • BBV-33658987

  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)	4.17	8.07	-46.39	2	3	1	29	290.818	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45654185
• 35804044
  

  Analogs

  35804045

  

  44725859

  

  45654183

  

  45654185

  

  Popular Name: 7-chloro-N-[(3S)-1-methylpyrrolidin-3-yl]quinolin-4-amine 7-chloro-N-[(3S)-1-methylpyrroli…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 11557983

  • SureChEMBL

    • SCHEMBL1549845

  • Enamine BB Make on Demand

    • BBV-32903924

  • UORSY BB Make-on-demand

    • BBV-32903924

  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)	3.50	7.26	-89.53	3	3	2	31	263.772	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.50	6.84	-47.26	2	3	1	29	262.764	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC35804044