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• Synonyms (0)
• Vendors (1)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC22162562

• 22162562

Physical Representations

Activity (Go SEA)

• 22162566
  

  Analogs

  22212025

  

  22212028

  

  22212031

  

  36875244

  

  36875245

  

  Popular Name: (2R)-2-[(3S)-3-methyl-1-piperidyl]-3-phenyl-propan-1-amine (2R)-2-[(3S)-3-methyl-1-piperidy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30067289

  • UORSY BB Make-on-demand

    • BBV-019585

  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)	2.09	7.55	-128.14	4	2	2	32	234.387	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.09	5.65	-42.15	3	2	1	31	233.379	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22162566
• 22212025
  

  Analogs

  22162562

  

  22162566

  

  Popular Name: (2R)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-phenyl-propan-1-amine (2R)-2-[(3R,5R)-3,5-dimethyl-1-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30112908

  • UORSY BB Make-on-demand

    • BBV-027948

  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)	2.56	8.23	-122.2	4	2	2	32	248.414	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.56	6.71	-47.29	3	2	1	31	247.406	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22212025
• 22212028
  

  Analogs

  22162562

  

  22162566

  

  Popular Name: (2R)-2-[(3R,5S)-3,5-dimethyl-1-piperidyl]-3-phenyl-propan-1-amine (2R)-2-[(3R,5S)-3,5-dimethyl-1-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30112912

  • UORSY BB Make-on-demand

    • BBV-027948

  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)	2.56	8.45	-122.72	4	2	2	32	248.414	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.56	6.56	-47.94	3	2	1	31	247.406	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22212028
• 22212031
  

  Analogs

  22162562

  

  22162566

  

  Popular Name: (2R)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-phenyl-propan-1-amine (2R)-2-[(3S,5S)-3,5-dimethyl-1-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30112916

  • UORSY BB Make-on-demand

    • BBV-027948

  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)	2.56	8.43	-122.4	4	2	2	32	248.414	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.56	6.97	-47.93	3	2	1	31	247.406	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22212031
• 36875244
  

  Analogs

  49777637

  

  49780538

  

  49780539

  

  49793741

  

  49793742

  

  Popular Name: (2S)-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-3-phenyl-propan-1-amine (2S)-2-[(3S,5R)-3,5-dimethyl-1-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 16788208

  • Enamine BB Make on Demand

    • BBV-027948

  • UORSY BB Make-on-demand

    • BBV-027948

  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)	2.56	7.67	-125.7	4	2	2	32	248.414	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.56	7.29	-28.77	3	2	1	30	247.406	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.56	6.37	-47.29	3	2	1	31	247.406	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36875244
• 36875245
  

  Analogs

  49777637

  

  49780538

  

  49780539

  

  49793741

  

  49793742

  

  Popular Name: (2S)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-3-phenyl-propan-1-amine (2S)-2-[(3S,5S)-3,5-dimethyl-1-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 16788208

  • Enamine BB Make on Demand

    • BBV-027948

  • UORSY BB Make-on-demand

    • BBV-027948

  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)	2.56	7.66	-124.16	4	2	2	32	248.414	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.56	6.63	-47.36	3	2	1	31	247.406	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36875245
• 36875246
  

  Analogs

  49777637

  

  49780538

  

  49780539

  

  49793741

  

  49793742

  

  Popular Name: (2S)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-phenyl-propan-1-amine (2S)-2-[(3R,5R)-3,5-dimethyl-1-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 16788208

  • Enamine BB Make on Demand

    • BBV-027948

  • UORSY BB Make-on-demand

    • BBV-027948

  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)	2.56	7.68	-123.85	4	2	2	32	248.414	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.56	6.48	-49.66	3	2	1	31	247.406	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36875246