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

ZINC29250572

• 29250572

Physical Representations

Activity (Go SEA)

• 3637859
  

  Analogs

  3637915

  

  3637916

  

  6096175

  

  6096176

  

  13651750

  

  Popular Name: 1-Allyl-3-(p-hydroxyphenyl)-3-propylpiperidine, hydrochloride; 3-(3-(1-Allyl-3-propylpiperidinyl))phenol, hydrochloride; LS-103864; Phenol, 3-(3-(1-allyl-3-propylpiperidinyl))-, hydrochloride; Piperidine, 1-allyl-3-(p-hydroxyphenyl)-3-propyl-, hydrochlori 1-Allyl-3-(p-hydroxyphenyl)-3-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Leadscope via PubChem

    • LS-103864

  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)	3.99	8.05	-38.37	2	2	1	25	260.401	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.99	6.2	-2.96	1	2	0	23	259.393	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03637859
• 3637858
  

  Analogs

  3637915

  

  3637916

  

  6096175

  

  6096176

  

  13651750

  

  Popular Name: 1-Allyl-3-(p-hydroxyphenyl)-3-propylpiperidine, hydrochloride; 3-(3-(1-Allyl-3-propylpiperidinyl))phenol, hydrochloride; LS-103864; Phenol, 3-(3-(1-allyl-3-propylpiperidinyl))-, hydrochloride; Piperidine, 1-allyl-3-(p-hydroxyphenyl)-3-propyl-, hydrochlori 1-Allyl-3-(p-hydroxyphenyl)-3-pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Leadscope via PubChem

    • LS-103864

  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)	3.99	8	-38.16	2	2	1	25	260.401	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.99	6.2	-3.09	1	2	0	23	259.393	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03637858
• 3631945
  

  Analogs

  3637887

  

  3637889

  

  13651755

  

  29250572

  

  29250579

  

  Popular Name: 1-(p-Aminophenethyl)-3-(m-hydroxyphenyl)-3-propylazetidine; Azetidine, 1-(p-aminophenethyl)-3-(m-hydroxyphenyl)-3-propyl-; LS-103939; Phenol, 3-(1-(p-aminophenethyl)-3-propyl-3-azetidinyl)- 1-(p-Aminophenethyl)-3-(m-hydrox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Leadscope via PubChem

    • LS-103939

  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)	3.68	8.08	-44.13	4	3	1	51	311.449	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.68	5.12	-5.01	3	3	0	49	310.441	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03631945
• 3631960
  

  Analogs

  13651748

  

  13651749

  

  13651754

  

  13651755

  

  27564289

  

  Popular Name: 3-(1-Methyl-3-propyl-3-azetidinyl)phenol; 3-(m-Hydroxyphenyl)-1-methyl-3-propylazetidine; Azetidine, 3-(m-hydroxyphenyl)-1-methyl-3-propyl-; BRN 1531154; LS-104935; Phenol, 3-(1-methyl-3-propyl-3-azetidinyl)- 3-(1-Methyl-3-propyl-3-azetidiny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Leadscope via PubChem

    • LS-104935

  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)	2.80	5.56	-39.63	2	2	1	25	206.309	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.80	2.42	-3.43	1	2	0	23	205.301	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03631960