User Information

• Synonyms (9)
• Vendors (11)
• Annotations (2)
• Representations (1)
• Notes (1)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC04312769

• 4312769

Physical Representations

Vendor Notes

Activity (Go SEA)

• 4312770
  

  Analogs

  34605574

  

  34605576

  

  45650356

  

  45650358

  

  4312769

  

  Popular Name: N-(4-Fluorophenyl)pyrrolidin-3-amine N-(4-Fluorophenyl)pyrrolidin-3-a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Alinda

    • IBS-B0005770

  • Fluorochem

    • 031959

  • Matrix Scientific

    • 037293

  • Mcule

    • MCULE-6072056626

  • Molport BB

    • MolPort-000-164-958

  And 10 More

  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)	2.53	-1.74	-44.08	3	2	1	28	181.234	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04312770
• 34605574
  

  Analogs

  27711582

  

  Popular Name: (3S)-N-(4-fluorophenyl)-N-phenyl-pyrrolidin-3-amine (3S)-N-(4-fluorophenyl)-N-phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 69182827
    • 15605610

  • SureChEMBL

    • SCHEMBL4772002
    • SCHEMBL331832

  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)	3.81	8.12	-41.31	2	2	1	20	257.332	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.81	6.68	-3.39	1	2	0	15	256.324	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34605574
• 34605576
  

  Analogs

  27711582

  

  Popular Name: (3S)-N,N-bis(4-fluorophenyl)pyrrolidin-3-amine (3S)-N,N-bis(4-fluorophenyl)pyrr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 66657189
    • 15605612

  • SureChEMBL

    • SCHEMBL330476

  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)	3.97	8.17	-44.97	2	2	1	20	275.322	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.97	6.75	-4.16	1	2	0	15	274.314	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34605576
• 45650356
  

  Analogs

  37241383

  

  37241381

  

  Popular Name: (3S)-N-(4-fluorophenyl)-1-isopropyl-pyrrolidin-3-amine (3S)-N-(4-fluorophenyl)-1-isopro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61978483

  • Enamine BB Make on Demand

    • BBV-33658248

  • UORSY BB Make-on-demand

    • BBV-33658248

  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)	3.45	7.15	-38.28	2	2	1	16	223.315	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45650356
• 45650358
  

  Analogs

  37241383

  

  37241381

  

  Popular Name: (3R)-N-(4-fluorophenyl)-1-isopropyl-pyrrolidin-3-amine (3R)-N-(4-fluorophenyl)-1-isopro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61978483

  • Enamine BB Make on Demand

    • BBV-33658248

  • UORSY BB Make-on-demand

    • BBV-33658248

  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)	3.45	7.14	-38.39	2	2	1	16	223.315	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45650358