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• Synonyms (0)
• Vendors (6)
• Annotations (3)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC02879952

• 2879952

Physical Representations

Activity (Go SEA)

• 39748728
  

  Analogs

  1066194

  

  Popular Name: N-[(1S)-1-[4-allyl-5-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-hydrox N-[(1S)-1-[4-allyl-5-[2-(4-metho…

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  Vendors

  • PubChem

    • 45008897

  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)	2.48	9.37	-25.5	2	11	0	152	515.523	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39748728
• 39748729
  

  Analogs

  1066194

  

  Popular Name: N-[(1R)-1-[4-allyl-5-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-hydrox N-[(1R)-1-[4-allyl-5-[2-(4-metho…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45008897

  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)	2.48	9.37	-25.51	2	11	0	152	515.523	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39748729
• 39754712
  

  Analogs

  9328259

  

  Popular Name: N-[(1S)-1-(4-allyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-2-hydroxy-ethyl]-2-fluoro-benzamide N-[(1S)-1-(4-allyl-5-phenacylsul…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45012141

  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)	2.53	8.55	-16.73	2	7	0	97	440.5	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39754712
• 39754715
  

  Analogs

  9328259

  

  Popular Name: N-[(1R)-1-(4-allyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)-2-hydroxy-ethyl]-2-fluoro-benzamide N-[(1R)-1-(4-allyl-5-phenacylsul…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45012141

  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)	2.53	8.56	-16.62	2	7	0	97	440.5	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39754715
• 39761208
  

  Analogs

  9582721

  

  Popular Name: N-[(1S)-1-[4-allyl-5-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-hydroxy-eth N-[(1S)-1-[4-allyl-5-[2-(3,4-dim…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45016317

  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)	2.18	7.78	-19.9	2	9	0	116	500.552	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39761208
• 39761209
  

  Analogs

  9582721

  

  Popular Name: N-[(1R)-1-[4-allyl-5-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-hydroxy-eth N-[(1R)-1-[4-allyl-5-[2-(3,4-dim…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45016317

  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)	2.18	7.78	-19.81	2	9	0	116	500.552	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39761209
• 39761570
  

  Analogs

  1066194

  

  Popular Name: N-[(1S)-1-[4-allyl-5-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2- N-[(1S)-1-[4-allyl-5-[2-(4-metho…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45016627

  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)	3.49	12.63	-24.32	1	10	0	132	499.524	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39761570
• 39761571
  

  Analogs

  1066194

  

  Popular Name: N-[(1R)-1-[4-allyl-5-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2- N-[(1R)-1-[4-allyl-5-[2-(4-metho…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45016627

  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)	3.49	12.63	-24.44	1	10	0	132	499.524	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39761571
• 39767284
  

  Analogs

  9328259

  

  Popular Name: N-[(1S)-1-[4-allyl-5-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzami N-[(1S)-1-[4-allyl-5-[2-(2-napht…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45019454

  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)	4.72	14.08	-16.16	1	6	0	77	474.561	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39767284
• 39767285
  

  Analogs

  9328259

  

  Popular Name: N-[(1R)-1-[4-allyl-5-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzami N-[(1R)-1-[4-allyl-5-[2-(2-napht…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45019454

  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)	4.72	14.08	-16.23	1	6	0	77	474.561	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39767285