User Information

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

ZINC44219990

• 44219990

Physical Representations

Activity (Go SEA)

• 1634021
  

  Analogs

  44218087

  

  44218090

  

  44218094

  

  44218098

  

  44218197

  

  Popular Name: 1,2-Propanediol, 3-(3-methylbutoxy)-; 1,2-Propanediol, 3-isopentyloxy-; 1-Isoamyl glycerol ether; BRN 1699132; LS-120531; NSC 26599 1,2-Propanediol, 3-(3-methylbuto…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4967010

  • Leadscope via PubChem

    • LS-120531

  • PubChem

    • 95650

  • SureChEMBL

    • SCHEMBL116747

  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)	0.67	-4.07	-7.13	2	3	0	49	162.229	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01634021
• 2041923
  

  Analogs

  44218087

  

  44218090

  

  44218094

  

  44218098

  

  44218197

  

  Popular Name: 1,2-Propanediol, 3-(3-methylbutoxy)-; 1,2-Propanediol, 3-isopentyloxy-; 1-Isoamyl glycerol ether; BRN 1699132; LS-120531; NSC 26599 1,2-Propanediol, 3-(3-methylbuto…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4967010

  • Leadscope via PubChem

    • LS-120531

  • PubChem

    • 95650

  • SureChEMBL

    • SCHEMBL116747

  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)	0.67	-4.07	-7.15	2	3	0	49	162.229	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02041923
• 1634022
  

  Analogs

  44218087

  

  44218090

  

  44218094

  

  44218098

  

  44218197

  

  Popular Name: 1,3-Diisoamyl glycerol diether; 1,3-Diisoamyloxy-2-propanol; 2-Propanol, 1,3-bis(3-methylbutoxy)-; 2-Propanol, 1,3-bis(isopentyloxy)-; 2-Propanol, 1,3-di(isopentyloxy)-; 2-Propanol, 1,3-diisopentyloxy-; AI3-03555; BRN 1753036; LS-122144; NSC 26600 1,3-Diisoamyl glycerol diether; …

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4967013

  • Leadscope via PubChem

    • LS-122144

  • PubChem

    • 69383

  • SureChEMBL

    • SCHEMBL1836709

  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)	2.94	4.42	-5.65	1	3	0	39	232.364	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01634022
• 1646611
  

  Analogs

  44218087

  

  44218090

  

  44218094

  

  44218098

  

  44218197

  

  Popular Name: (2R)-1-ethoxy-3-isoamoxy-propan-2-ol (2R)-1-ethoxy-3-isoamoxy-propan-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4971102

  • PubChem

    • 231883

  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)	1.67	-1.87	-5.91	1	3	0	38	190.283	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01646611
• 2048660
  

  Analogs

  44218087

  

  44218090

  

  44218094

  

  44218098

  

  44218197

  

  Popular Name: (2S)-1-ethoxy-3-isoamoxy-propan-2-ol (2S)-1-ethoxy-3-isoamoxy-propan-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4971102

  • PubChem

    • 231883

  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)	1.67	-1.87	-5.91	1	3	0	38	190.283	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02048660