User Information

• Synonyms (0)
• Vendors (4)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (13)

ZINC12379056

• 12379056

Physical Representations

Activity (Go SEA)

• 34595803
  

  Analogs

  2853763

  

  4403380

  

  8927225

  

  Popular Name: (4-nitrophenyl)methyl (4-nitrophenyl)methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15592771

  • SureChEMBL

    • SCHEMBL11564208

  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)	1.54	9.49	-24.96	0	11	0	149	495.469	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34595803
• 34595804
  

  Analogs

  2853763

  

  4403380

  

  8927225

  

  Popular Name: (4-nitrophenyl)methyl (4-nitrophenyl)methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15592771

  • SureChEMBL

    • SCHEMBL11564208

  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)	1.54	10.96	-33.84	0	11	0	149	495.469	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34595804
• 34595805
  

  Analogs

  2853763

  

  4403380

  

  8927225

  

  Popular Name: (4-nitrophenyl)methyl (4-nitrophenyl)methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15592771
    • 22799567

  • SureChEMBL

    • SCHEMBL11525720

  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)	1.54	8.67	-28.68	0	11	0	149	495.469	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34595805
• 34595806
  

  Analogs

  2853763

  

  4403380

  

  8927225

  

  Popular Name: (4-nitrophenyl)methyl (4-nitrophenyl)methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 15592771
    • 22799567

  • SureChEMBL

    • SCHEMBL11525720

  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)	1.54	8.58	-29.51	0	11	0	149	495.469	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34595806
• 39285533
  

  Analogs

  12379059

  

  Popular Name: N-[(2E,6R,7S)-2-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-3,8-dioxo-5-thia-1-azabicyclo[4.2.0]octa N-[(2E,6R,7S)-2-[hydroxy-[(4-nit…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 70547786
    • 20240018
    • 20527715

  • SureChEMBL

    • SCHEMBL11256506

  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)	1.23	10.71	-32.12	1	11	0	148	485.474	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39285533
• 39285534
  

  Analogs

  12379059

  

  Popular Name: N-[(2E,6R,7R)-2-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-3,8-dioxo-5-thia-1-azabicyclo[4.2.0]octa N-[(2E,6R,7R)-2-[hydroxy-[(4-nit…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54405213
    • 70547786
    • 20240018

  • SureChEMBL

    • SCHEMBL11256506

  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)	1.23	10.01	-23.2	1	11	0	148	485.474	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39285534
• 39285535
  

  Analogs

  12379059

  

  Popular Name: N-[(2E,6S,7S)-2-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-3,8-dioxo-5-thia-1-azabicyclo[4.2.0]octa N-[(2E,6S,7S)-2-[hydroxy-[(4-nit…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54405212
    • 20240018
    • 20527715

  • SureChEMBL

    • SCHEMBL11256515

  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)	1.23	10.01	-23.18	1	11	0	148	485.474	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39285535
• 39285536
  

  Analogs

  12379059

  

  Popular Name: N-[(2E,6S,7R)-2-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-3,8-dioxo-5-thia-1-azabicyclo[4.2.0]octa N-[(2E,6S,7R)-2-[hydroxy-[(4-nit…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54405211
    • 20240018

  • SureChEMBL

    • SCHEMBL11256515

  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)	1.23	10.71	-32.1	1	11	0	148	485.474	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39285536
• 4403380
  

  Analogs

  8927225

  

  8927227

  

  8927229

  

  8927231

  

  12379056

  

  Popular Name: (4-nitrophenyl)methyl (4-nitrophenyl)methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemBridge

    • 7799770

  • PubChem

    • 11864029

  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)	1.12	-2.61	-44.37	1	11	0	147	499.501	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04403380
• 8927225
  

  Analogs

  8927227

  

  8927229

  

  8927231

  

  12379056

  

  12379057

  

  Popular Name: 4-nitrobenzyl 3-methylene-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide 4-nitrobenzyl 3-methylene-8-oxo-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AE-641/40197999

  • Vitas-M

    • STK384444

  • eMolecules

    • 1507879

  • Molport

    • MolPort-002-269-783
    • MolPort-002-013-235

  And 14 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)	1.12	-2.02	-31.46	1	11	0	147	499.501	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08927225
• 8927227
  

  Analogs

  8927229

  

  8927231

  

  12379056

  

  12379057

  

  12379058

  

  Popular Name: 4-nitrobenzyl 3-methylene-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide 4-nitrobenzyl 3-methylene-8-oxo-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AE-641/40197999

  • Vitas-M

    • STK384444

  • eMolecules

    • 1507879

  • Molport

    • MolPort-002-269-783
    • MolPort-002-013-235

  And 14 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)	1.12	-1.09	-27.31	1	11	0	147	499.501	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08927227
• 8927229
  

  Analogs

  8927231

  

  12379056

  

  12379057

  

  12379058

  

  34223657

  

  Popular Name: 4-nitrobenzyl 3-methylene-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide 4-nitrobenzyl 3-methylene-8-oxo-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AE-641/40197999

  • Vitas-M

    • STK384444

  • eMolecules

    • 1507879

  • Molport

    • MolPort-002-269-783
    • MolPort-002-013-235

  And 15 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)	1.12	-2.45	-35.18	1	11	0	147	499.501	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08927229
• 8927231
  

  Analogs

  12379056

  

  12379057

  

  12379058

  

  34223657

  

  34595803

  

  Popular Name: 4-nitrobenzyl 3-methylene-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide 4-nitrobenzyl 3-methylene-8-oxo-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AE-641/40197999

  • Vitas-M

    • STK384444

  • eMolecules

    • 1507879

  • Molport

    • MolPort-002-269-783
    • MolPort-002-013-235

  And 15 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)	1.12	-2.3	-27.28	1	11	0	147	499.501	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08927231