User Information

• Synonyms (0)
• Vendors (8)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC15930882

• 15930882

Physical Representations

Activity (Go SEA)

• 36612885
  

  Analogs

  8444327

  

  Popular Name: N-(2-chlorophenyl)-2-[4-[(Z)-[1-(4-cyanophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-ethoxy-ph N-(2-chlorophenyl)-2-[4-[(Z)-[1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27340355

  • Mcule

    • MCULE-6262946418

  • Princeton BioMolecular Research

    • OSSL_596082

  • TimTec

    • ST45114067

  • Zelinsky Institute

    • UZI/1980192

  And 3 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)	4.07	13.49	-22.85	1	8	0	106	514.969	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36612885
• 36612903
  

  Analogs

  8444327

  

  Popular Name: N-(2-chlorophenyl)-2-[4-[(Z)-[1-(4-cyanophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-methoxy-p N-(2-chlorophenyl)-2-[4-[(Z)-[1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27340363

  • Mcule

    • MCULE-2233616360

  • Princeton BioMolecular Research

    • OSSL_596108

  • TimTec

    • ST45114099

  • Zelinsky Institute

    • UZI/1980227

  And 3 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)	3.69	12.12	-21.92	1	8	0	106	500.942	7	↓ MOL2 SDF SMILES Flexibase
  Ref Reference (pH 7)	3.69	12.58	-23.12	1	8	0	106	500.942	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36612903
• 36612906
  

  Analogs

  8456208

  

  Popular Name: 4-[(4Z)-4-[[4-[2-(2-chloroanilino)-2-oxo-ethoxy]-3-methoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol- 4-[(4Z)-4-[[4-[2-(2-chloroanilin…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27340367

  • Mcule

    • MCULE-9206754560

  • Princeton BioMolecular Research

    • OSSL_596112

  • TimTec

    • ST45114105

  • Zelinsky Institute

    • UZI/1980233

  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)	3.85	12.27	-66.82	1	9	-1	123	518.933	8	↓ MOL2 SDF SMILES Flexibase
  Ref Reference (pH 7)	3.85	12.74	-68.66	1	9	-1	123	518.933	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36612906
• 671090
  

  Analogs

  15930882

  

  Popular Name: 2-[4-[(E)-[1-(2-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-ethoxy-phenoxy]-N-(2-m 2-[4-[(E)-[1-(2-chlorophenyl)-5-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • American Custom Chemicals Corp.

    • HCH0195343

  • Mcule

    • MCULE-2220702815

  • ChemDB

    • 6454290

  • PubChem

    • 1010688
    • 4578220

  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)	4.53	12.15	-25.26	1	8	0	92	519.985	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00671090