User Information

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

ZINC37813835

• 37813835

Physical Representations

Activity (Go SEA)

• 59347789
  

  Analogs

  37812291

  

  37813809

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20199433

  • SureChEMBL

    • SCHEMBL10740700

  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)	1.52	13.44	-21.68	0	12	0	146	488.534	21	↓ MOL2 SDF SMILES Flexibase

  More about ZINC59347789
• 4029927
  

  Analogs

  34564398

  

  34601658

  

  34601659

  

  34601660

  

  37812308

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 35780078

  • American Custom Chemicals Corp.

    • CCH0008676

  • IBScreen NP

    • STOCK1N-30293

  • Mcule

    • MCULE-6438652320

  • ChemDB

    • 4564220

  And 9 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)	0.17	1.72	-43.91	4	5	1	83	217.289	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04029927
• 11959630
  

  Analogs

  37812172

  

  37812173

  

  37812174

  

  37812175

  

  37812288

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60895551
    • 22690841
    • 42313200

  • Enamine BB Make on Demand

    • BBV-32514413
    • BBV-32093688

  And 2 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	1.68	-43.68	4	5	1	83	217.289	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11959630
• 11959623
  

  Analogs

  11959630

  

  37812172

  

  37812173

  

  37812174

  

  37812175

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 42313191
    • 60895551
    • 22690841
    • 42313190

  • Enamine BB Make on Demand

    • BBV-32514413

  And 4 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	2.22	-43.83	4	5	1	83	217.289	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11959623
• 2556619
  

  Analogs

  37812177

  

  37812178

  

  37812303

  

  37812304

  

  37812305

  

  Popular Name: H-leu-gly-oet-hcl H-leu-gly-oet-hcl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Tetrahedron Building Blocks

    • TS49132

  • ChemDB

    • 4564220

  • PubChem

    • 21590892
    • 11390304
    • 22866696

  And 10 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)	0.17	1.7	-43.82	4	5	1	83	217.289	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02556619
• 37713944
  

  Analogs

  37813795

  

  37813796

  

  37813834

  

  37813835

  

  37818656

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 12976066

  • SureChEMBL

    • SCHEMBL14100750

  • Enamine BB Make on Demand

    • BBV-32093722

  • UORSY BB Make-on-demand

    • BBV-32093722

  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)	-0.17	1.92	-37.2	3	5	1	72	201.246	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.02	-0.27	-33.66	2	5	0	78	200.238	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37713944
• 11754411
  

  Analogs

  37813795

  

  37813796

  

  37813834

  

  37813835

  

  37818656

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 12976066
    • 42148401
    • 10397890

  • SureChEMBL

    • SCHEMBL14100750
    • SCHEMBL11796648

  And 4 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)	-0.17	1.88	-37.95	3	5	1	72	201.246	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11754411