User Information

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

ZINC37109999

• 37109999

Physical Representations

Activity (Go SEA)

• 19230057
  

  Analogs

  21807729

  

  21807732

  

  21813333

  

  21813334

  

  34679428

  

  Popular Name: N-(2-amino-2-phenylethyl)-N,N-diethylamine N-(2-amino-2-phenylethyl)-N,N-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2865854

  • Molport

    • MolPort-002-468-504

  • Enamine

    • Z85923461

  • Enamine Building Blocks

    • EN300-12594

  • Mcule

    • MCULE-5643312617

  And 13 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)	0.21	5.82	-32.73	3	2	1	30	193.314	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.21	4.15	-41.18	3	2	1	31	193.314	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19230057
• 19230059
  

  Analogs

  21807729

  

  21807732

  

  21813333

  

  21813334

  

  34679428

  

  Popular Name: N-(2-amino-2-phenylethyl)-N,N-diethylamine N-(2-amino-2-phenylethyl)-N,N-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 2865854

  • Molport

    • MolPort-002-468-504

  • Enamine

    • Z85923461

  • Enamine Building Blocks

    • EN300-12594

  • Mcule

    • MCULE-5643312617

  And 13 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)	0.21	5.95	-30.31	3	2	1	30	193.314	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.21	4.49	-40.98	3	2	1	31	193.314	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19230059
• 23067454
  

  Analogs

  34679393

  

  34679394

  

  36664796

  

  36664797

  

  36785087

  

  Popular Name: (1S)-2-[(2R)-2-methyl-1-piperidyl]-1-(p-tolyl)ethanamine (1S)-2-[(2R)-2-methyl-1-piperidy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30815059

  • UORSY BB Make-on-demand

    • BBV-025275

  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)	1.14	7.39	-34.49	3	2	1	30	233.379	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.14	7.74	-119.69	4	2	2	32	234.387	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC23067454
• 19260273
  

  Analogs

  21807729

  

  21807732

  

  34679407

  

  34679428

  

  34679433

  

  Popular Name: 2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethylamine 2-(4-Methyl-piperazin-1-yl)-1-ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Asinex

    • BAS09615103

  • Chembo Pharma

    • KB-15076

  • Enamine Building Blocks

    • EN300-67187

  • Fluorochem

    • 058719

  • Innovapharm Building Blocks

    • BBS-00016706

  And 20 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)	-0.65	4.73	-101.58	4	3	2	35	221.348	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.65	1.43	-2.74	2	3	0	32	219.332	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	-0.65	3.86	-32.29	3	3	1	34	220.34	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19260273
• 19260270
  

  Analogs

  21807729

  

  21807732

  

  34679407

  

  34679428

  

  34679433

  

  Popular Name: 2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethylamine 2-(4-Methyl-piperazin-1-yl)-1-ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Asinex

    • BAS09615103

  • Chembo Pharma

    • KB-15076

  • Enamine Building Blocks

    • EN300-67187

  • Fluorochem

    • 058719

  • Innovapharm Building Blocks

    • BBS-00016706

  And 22 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)	-0.65	4.85	-101.05	4	3	2	35	221.348	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.65	2.09	-2.11	2	3	0	32	219.332	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	-0.65	4.03	-34.02	3	3	1	34	220.34	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19260270
• 19821166
  

  Analogs

  21798418

  

  21807729

  

  21807732

  

  34679393

  

  34679394

  

  Popular Name: 1-Phenyl-2-pyrrolidin-1-yl-ethylamine 1-Phenyl-2-pyrrolidin-1-yl-ethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-001-760-156

  • Asinex

    • BAS09615099

  • Chembo Pharma

    • KB-13117
    • KB-90853

  • Enamine

    • Z228584858

  And 28 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)	-0.14	5.25	-30.85	3	2	1	30	191.298	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19821166
• 19821168
  

  Analogs

  21798418

  

  21807729

  

  21807732

  

  34679393

  

  34679394

  

  Popular Name: 1-Phenyl-2-pyrrolidin-1-yl-ethylamine 1-Phenyl-2-pyrrolidin-1-yl-ethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-001-760-156

  • Asinex

    • BAS09615099

  • Chembo Pharma

    • KB-13117
    • KB-90853

  • Enamine

    • Z228584858

  And 28 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)	-0.14	5.63	-36.02	3	2	1	30	191.298	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19821168
• 22913543
  

  Analogs

  34679428

  

  34679433

  

  37079835

  

  37079836

  

  37079844

  

  Popular Name: [2-(4-METHYLPIPERAZINYL)-1-PHENYLETHYL]METHYLAMINE [2-(4-METHYLPIPERAZINYL)-1-PHENY…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • CDS008795|ALDRICH

  • Ark Pharm Building Blocks

    • AK-41144

  • Fluorochem

    • 306536

  • Molport BB

    • MolPort-001-760-161

  • Sigma Aldrich (Building Blocks)

    • CDS008795|ALDRICH

  And 8 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)	1.60	6.36	-93.99	3	3	2	24	235.375	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.60	3.02	-1.86	1	3	0	19	233.359	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.60	4.69	-34.89	2	3	1	20	234.367	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22913543
• 19850779
  

  Analogs

  22913543

  

  34679428

  

  34679433

  

  37079835

  

  37079836

  

  Popular Name: [2-(4-METHYLPIPERAZINYL)-1-PHENYLETHYL]METHYLAMINE [2-(4-METHYLPIPERAZINYL)-1-PHENY…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • CDS008795|ALDRICH

  • Ark Pharm Building Blocks

    • AK-41144

  • Fluorochem

    • 306536

  • Molport BB

    • MolPort-001-760-161

  • Sigma Aldrich (Building Blocks)

    • CDS008795|ALDRICH

  And 8 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)	1.60	6.11	-93.35	3	3	2	24	235.375	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.60	2.34	-2.11	1	3	0	19	233.359	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.60	4.49	-29.66	2	3	1	20	234.367	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19850779