User Information

• Synonyms (0)
• Vendors (0)
• Annotations (3)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC05758364

• 5758364

Physical Representations

Activity (Go SEA)

• 16889943
  

  Analogs

  31332804

  

  31332809

  

  31351271

  

  31351274

  

  31351277

  

  Popular Name: bis[(3R)-3-methylheptyl] bis[(3R)-3-methylheptyl]

  Find On: PubMed — Wikipedia — Google

  Vendors

  • NCI Plated 2007

    • 6376

  • PubChem

    • 6066660

  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)	6.48	13.91	-4.28	0	4	0	53	340.504	16	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16889943
• 16892564
  

  Analogs

  31332804

  

  31332809

  

  31351271

  

  31351274

  

  31351277

  

  Popular Name: bis[(3S)-3-methylheptyl] bis[(3S)-3-methylheptyl]

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4951025

  • PubChem

    • 6066660
    • 221539

  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)	6.48	13.91	-4.28	0	4	0	53	340.504	16	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16892564
• 31357020
  

  Analogs

  31357023

  

  32226988

  

  32226990

  

  33841139

  

  31351271

  

  Popular Name: Bis(2-ethylhexyl) Maleate Bis(2-ethylhexyl) Maleate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 6936AA

  • Aldrich CPR

    • PH003683|ALDRICH

  • American Custom Chemicals Corp.

    • CHM0008763
    • CHM0068684

  • Angene Building Blocks

    • AGN-PC-0PRYE2

  And 29 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)	6.94	14.32	-10.27	0	4	0	53	340.504	16	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31357020
• 31357023
  

  Analogs

  32226988

  

  32226990

  

  33841139

  

  31351271

  

  31351274

  

  Popular Name: Bis(2-ethylhexyl) Maleate Bis(2-ethylhexyl) Maleate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 6936AA

  • Aldrich CPR

    • PH003683|ALDRICH

  • American Custom Chemicals Corp.

    • CHM0008763
    • CHM0068684

  • Angene Building Blocks

    • AGN-PC-0PRYE2

  And 29 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)	6.94	14.23	-10.46	0	4	0	53	340.504	16	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31357023
• 33841139
  

  Analogs

  3875948

  

  Popular Name: Bis(2-ethylhexyl) maleate Bis(2-ethylhexyl) maleate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 6936AA

  • American Custom Chemicals Corp.

    • CHM0008763
    • CHM0068684

  • Angene Building Blocks

    • AGN-PC-0PRYE2

  • Ark Pharm Building Blocks

    • AK117561

  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)	6.94	14.49	-9.95	0	4	0	53	340.504	16	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33841139
• 4409983
  

  Analogs

  5553393

  

  5758169

  

  5758364

  

  5758416

  

  16889943

  

  Popular Name: bis(3-methylheptyl) bis(3-methylheptyl)

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4951025

  • PubChem

    • 54598836
    • 221539

  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)	6.48	5.05	-10.47	0	4	0	52	340.504	16	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04409983
• 5553393
  

  Analogs

  5758169

  

  5758364

  

  5758416

  

  31332804

  

  31332809

  

  Popular Name: bis(3-methylheptyl) bis(3-methylheptyl)

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4951025

  • PubChem

    • 6066660
    • 221539

  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)	6.48	5.03	-4.28	0	4	0	52	340.504	16	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05553393
• 4409982
  

  Analogs

  4409983

  

  5553393

  

  5758169

  

  5758364

  

  5758416

  

  Popular Name: bis(3-methylheptyl) bis(3-methylheptyl)

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 4951025

  • PubChem

    • 54598836
    • 221539

  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)	6.48	5.05	-10.5	0	4	0	52	340.504	16	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04409982
• 4100227
  

  Analogs

  5758169

  

  5758364

  

  5758416

  

  31351271

  

  31351274

  

  Popular Name: 4-({10-[(3-carboxyacryloyl)oxy]decyl}oxy)-4-oxobut-2-enoic acid 4-({10-[(3-carboxyacryloyl)oxy]d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs Building Blocks

    • AO-181/25113034

  • Ryan Scientific BB

    • 073-49963

  • ChemDB

    • 6423560

  • PubChem

    • 40473269
    • 11840446

  And 1 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)	3.14	11.61	-111.01	0	8	-2	133	368.382	17	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04100227