User Information

• Synonyms (2)
• Vendors (7)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC00687330

• 687330

Physical Representations

Activity (Go SEA)

• 39753016
  

  Analogs

  9263409

  

  Popular Name: N-[(1R)-1-[4-ethyl-5-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methyl N-[(1R)-1-[4-ethyl-5-[(1S)-2-ind…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45011250

  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)	4.16	13.5	-14.49	1	7	0	80	477.634	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39753016
• 39753017
  

  Analogs

  9263409

  

  Popular Name: N-[(1R)-1-[4-ethyl-5-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methyl N-[(1R)-1-[4-ethyl-5-[(1R)-2-ind…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45011250

  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)	4.16	13.51	-14.37	1	7	0	80	477.634	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39753017
• 39753020
  

  Analogs

  9263409

  

  Popular Name: N-[(1S)-1-[4-ethyl-5-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methyl N-[(1S)-1-[4-ethyl-5-[(1S)-2-ind…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45011250

  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)	4.16	13.87	-14.06	1	7	0	80	477.634	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39753020
• 39753022
  

  Analogs

  9263409

  

  Popular Name: N-[(1S)-1-[4-ethyl-5-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methyl N-[(1S)-1-[4-ethyl-5-[(1R)-2-ind…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45011250

  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)	4.16	13.87	-14.05	1	7	0	80	477.634	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39753022
• 39760249
  

  Analogs

  1143052

  

  Popular Name: N-[(1R)-1-[4-ethyl-5-[(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-m N-[(1R)-1-[4-ethyl-5-[(1S)-1-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45015974

  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)	4.32	11.77	-12.47	2	7	0	89	465.623	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39760249
• 39760250
  

  Analogs

  1143052

  

  Popular Name: N-[(1R)-1-[4-ethyl-5-[(1R)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-m N-[(1R)-1-[4-ethyl-5-[(1R)-1-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45015974

  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)	4.32	11.77	-12.57	2	7	0	89	465.623	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39760250
• 39760251
  

  Analogs

  1143052

  

  Popular Name: N-[(1S)-1-[4-ethyl-5-[(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-m N-[(1S)-1-[4-ethyl-5-[(1S)-1-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45015974

  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)	4.32	11.97	-12.67	2	7	0	89	465.623	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39760251
• 39760252
  

  Analogs

  1143052

  

  Popular Name: N-[(1S)-1-[4-ethyl-5-[(1R)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-m N-[(1S)-1-[4-ethyl-5-[(1R)-1-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45015974

  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)	4.32	11.97	-12.69	2	7	0	89	465.623	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39760252
• 687329
  

  Analogs

  687330

  

  39753016

  

  39753017

  

  39753020

  

  39753022

  

  Popular Name: N-[1-(4-ethyl-5-{[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-3-methylbenzamide N-[1-(4-ethyl-5-{[2-(2-ethyl-6-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AN-698/42115833

  • Vitas-M

    • STK139920

  • eMolecules

    • 8267387

  • Molport

    • MolPort-002-831-330

  • Mcule

    • MCULE-6452594714

  And 5 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)	4.32	1.02	-12.05	0	2	0	88	493.677	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00687329