User Information

• Synonyms (0)
• Vendors (1)
• Annotations (0)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC42915245

• 42915245

Physical Representations

Activity (Go SEA)

• 55506752
  

  Analogs

  42912641

  

  42912644

  

  Popular Name: (2R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine (2R)-2-(4-fluorophenyl)-1-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 31379244

  • Molport

    • MolPort-009-164-132

  • Enamine

    • Z241700246

  • Mcule

    • MCULE-5890279419

  • PubChem

    • 47019490

  And 2 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)	2.48	7.04	-33.61	1	2	1	14	224.299	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.48	4.65	-2.81	0	2	0	12	223.291	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC55506752
• 55506755
  

  Analogs

  42912641

  

  42912644

  

  Popular Name: (2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine (2S)-2-(4-fluorophenyl)-1-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 31379244

  • Molport

    • MolPort-009-164-132

  • Enamine

    • Z241700246

  • Mcule

    • MCULE-5890279419

  • PubChem

    • 47019490

  And 2 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)	2.48	7.83	-33.46	1	2	1	14	224.299	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.48	5.94	-2.87	0	2	0	12	223.291	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC55506755
• 69742117
  

  Analogs

  42912641

  

  42912644

  

  Popular Name: 4-[2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]morpholine 4-[2-[(2R)-2-(4-fluorophenyl)pyr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 36646512

  • Molport

    • MolPort-020-124-199

  • Enamine

    • Z812525866

  • Mcule

    • MCULE-7882080755

  • PubChem

    • 53531188

  And 2 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)	2.37	5.03	-3.87	0	3	0	16	278.371	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.37	6.78	-39.68	1	3	1	17	279.379	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.37	7.28	-38.01	1	3	1	17	279.379	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC69742117
• 19674234
  

  Analogs

  42912641

  

  42912644

  

  42912650

  

  42914520

  

  42914522

  

  Popular Name: (4R)-4-(4-fluorophenyl)-4-morpholino-butan-1-amine (4R)-4-(4-fluorophenyl)-4-morpho…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28266386

  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)	1.28	3.3	-47.59	3	3	1	40	253.341	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.28	5.27	-107.18	4	3	2	41	254.349	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19674234
• 19674237
  

  Analogs

  42912641

  

  42912644

  

  42912650

  

  42914520

  

  42914522

  

  Popular Name: (4S)-4-(4-fluorophenyl)-4-morpholino-butan-1-amine (4S)-4-(4-fluorophenyl)-4-morpho…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28266389

  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)	1.28	2.96	-50.11	3	3	1	40	253.341	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	1.28	4.87	-112.19	4	3	2	41	254.349	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19674237
• 20085600
  

  Analogs

  42915072

  

  42915073

  

  42915074

  

  42915075

  

  42915243

  

  Popular Name: (1S)-1-(4-fluorophenyl)-N-(2-methoxyethyl)pentan-1-amine (1S)-1-(4-fluorophenyl)-N-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43200652
    • 28610389

  • Enamine BB Make on Demand

    • BBV-159201

  • UORSY BB Make-on-demand

    • BBV-159201

  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	7.45	-40.24	2	2	1	26	240.342	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20085600
• 20085599
  

  Analogs

  42914520

  

  42914522

  

  42914524

  

  42914525

  

  42915072

  

  Popular Name: (1R)-1-(4-fluorophenyl)-N-(2-methoxyethyl)pentan-1-amine (1R)-1-(4-fluorophenyl)-N-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43200652
    • 28610387

  • Enamine BB Make on Demand

    • BBV-159201

  • UORSY BB Make-on-demand

    • BBV-159201

  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	7.47	-41.63	2	2	1	26	240.342	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20085599