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• Synonyms (0)
• Vendors (3)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (18)

ZINC12629182

• 12629182

Physical Representations

Activity (Go SEA)

• 39750789
  

  Analogs

  12629176

  

  12629173

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45010135

  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)	4.13	11.68	-11.6	2	7	0	89	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39750789
• 39750790
  

  Analogs

  12629176

  

  12629173

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45010135

  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)	4.13	11.27	-12.16	2	7	0	89	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39750790
• 39750791
  

  Analogs

  12629176

  

  12629173

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45010135

  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)	4.13	11.28	-12.12	2	7	0	89	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39750791
• 39756960
  

  Analogs

  18201354

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45013409

  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)	3.15	8.78	-13.48	2	8	0	102	476.002	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39756960
• 39759720
  

  Analogs

  1145793

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45015526

  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)	5.43	12.93	-14.39	2	8	0	98	515.724	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39759720
• 39759721
  

  Analogs

  1145793

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45015526

  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)	5.43	12.94	-14.25	2	8	0	98	515.724	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39759721
• 39759722
  

  Analogs

  1145793

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45015526

  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)	5.43	12.84	-13.34	2	8	0	98	515.724	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39759722
• 39759723
  

  Analogs

  1145793

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45015526

  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)	5.43	12.85	-13.3	2	8	0	98	515.724	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39759723
• 39767134
  

  Analogs

  1145794

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45019325

  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)	4.69	11.16	-14.2	2	8	0	98	487.67	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39767134
• 39767135
  

  Analogs

  1145794

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45019325

  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)	4.69	11.34	-14.46	2	8	0	98	487.67	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39767135
• 39767136
  

  Analogs

  1145794

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 45019325

  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)	4.69	11.35	-14.39	2	8	0	98	487.67	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39767136
• 12629173
  

  Analogs

  12629176

  

  12629179

  

  12629182

  

  39750789

  

  39750790

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK116765

  • ChemBridge

    • 7514870

  • Princeton BioMolecular Research

    • OSSK_445764

  • PubChem

    • 25406214

  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)	4.01	11.5	-11.44	2	7	0	89	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12629173
• 12629176
  

  Analogs

  12629179

  

  12629182

  

  39750789

  

  39750790

  

  39750791

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK116765

  • ChemBridge

    • 7514870

  • Princeton BioMolecular Research

    • OSSK_445764

  • PubChem

    • 25406216

  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)	4.01	10.99	-11.81	2	7	0	89	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12629176
• 12629179
  

  Analogs

  12629182

  

  39750789

  

  39750790

  

  39750791

  

  39759720

  

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

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK116765

  • ChemBridge

    • 7514870

  • Princeton BioMolecular Research

    • OSSK_445764

  • PubChem

    • 25406218

  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)	4.01	11.78	-11.59	2	7	0	89	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12629179
• 9304959
  

  Analogs

  12629173

  

  12629176

  

  12629179

  

  12629182

  

  39750789

  

  Popular Name: N-[1-[4-ethyl-5-[(2-methylcyclohexyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]-2-methyl-propyl]be N-[1-[4-ethyl-5-[(2-methylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK116765

  • eMolecules

    • 2217199

  • Molport

    • MolPort-002-253-619

  • ChemBridge

    • 7514870

  • Mcule

    • MCULE-5928459415

  And 7 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)	4.01	-0.3	-11.6	2	7	0	88	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09304959
• 9304962
  

  Analogs

  12629173

  

  12629176

  

  12629179

  

  12629182

  

  39750789

  

  Popular Name: N-[1-[4-ethyl-5-[(2-methylcyclohexyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]-2-methyl-propyl]be N-[1-[4-ethyl-5-[(2-methylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK116765

  • eMolecules

    • 2217199

  • Molport

    • MolPort-002-253-619

  • ChemBridge

    • 7514870

  • Mcule

    • MCULE-5928459415

  And 7 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)	4.01	-1.45	-11.75	2	7	0	88	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09304962
• 9304964
  

  Analogs

  12629173

  

  12629176

  

  12629179

  

  12629182

  

  39750789

  

  Popular Name: N-[1-[4-ethyl-5-[(2-methylcyclohexyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]-2-methyl-propyl]be N-[1-[4-ethyl-5-[(2-methylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK116765

  • eMolecules

    • 2217199

  • Molport

    • MolPort-002-253-619

  • ChemBridge

    • 7514870

  • Mcule

    • MCULE-5928459415

  And 7 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)	4.01	-1.34	-11.86	2	7	0	88	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09304964
• 9304966
  

  Analogs

  12629173

  

  12629176

  

  12629179

  

  12629182

  

  39750789

  

  Popular Name: N-[1-[4-ethyl-5-[(2-methylcyclohexyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]-2-methyl-propyl]be N-[1-[4-ethyl-5-[(2-methylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK116765

  • eMolecules

    • 2217199

  • Molport

    • MolPort-002-253-619

  • ChemBridge

    • 7514870

  • Mcule

    • MCULE-5928459415

  And 7 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)	4.01	-0.3	-11.65	2	7	0	88	457.644	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09304966