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

ZINC07872634

• 7872634

Physical Representations

Activity (Go SEA)

• 7872636
  

  Analogs

  57290100

  

  57290102

  

  57389679

  

  57389681

  

  58052777

  

  Popular Name: 4-[[1-(4-ethylphenyl)-2-methyl-propyl]aminomethyl]-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-2- 4-[[1-(4-ethylphenyl)-2-methyl-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-005-577-512

  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)	4.20	0.67	-46.7	2	4	1	50	342.488	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07872636
• 57290100
  

  Analogs

  7872634

  

  7872636

  

  7803985

  

  7803989

  

  Popular Name: 7-[[[(1R)-1-(4-isopropylphenyl)-2-methyl-propyl]amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[[(1R)-1-(4-isopropylphenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 11807249

  • Molport

    • MolPort-004-208-758

  • Enamine

    • Z106619984

  • Mcule

    • MCULE-5712989752

  • PubChem

    • 8923126

  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)	4.80	10.3	-37.76	2	4	1	48	356.515	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.80	9.87	-10.7	1	4	0	46	355.507	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC57290100
• 57290102
  

  Analogs

  7872634

  

  7872636

  

  7803985

  

  7803989

  

  Popular Name: 7-[[[(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[[(1S)-1-(4-isopropylphenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 11807249

  • Molport

    • MolPort-004-208-758

  • Enamine

    • Z106619984

  • Mcule

    • MCULE-5712989752

  • PubChem

    • 8923131

  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)	4.80	10.5	-35.59	2	4	1	48	356.515	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.80	10.09	-10.06	1	4	0	46	355.507	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC57290102
• 57389679
  

  Analogs

  7872634

  

  7872636

  

  7803985

  

  7803989

  

  Popular Name: 7-[[[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[[(1R)-1-(4-ethylphenyl)-2-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 13476214

  • Molport

    • MolPort-005-577-512

  • Enamine

    • Z106678640

  • Mcule

    • MCULE-7851527622

  • Collaborative Drug Discovery

    • 1239028

  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)	4.20	9.81	-37.83	2	4	1	48	342.488	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.20	9.38	-10.76	1	4	0	46	341.48	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC57389679
• 57389681
  

  Analogs

  7872634

  

  7872636

  

  7803985

  

  7803989

  

  Popular Name: 7-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[[[(1S)-1-(4-ethylphenyl)-2-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 13476214

  • Molport

    • MolPort-005-577-512

  • Enamine

    • Z106678640

  • Mcule

    • MCULE-7851527622

  • Collaborative Drug Discovery

    • 1239028

  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)	4.20	10.01	-35.66	2	4	1	48	342.488	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.20	9.6	-10.17	1	4	0	46	341.48	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC57389681
• 58052777
  

  Analogs

  7872634

  

  7872636

  

  7803985

  

  7803989

  

  Popular Name: 7-[[[(1R)-2-methyl-1-[4-[(1R)-1-methylpropyl]phenyl]propyl]amino]methyl]thiazolo[3,2-a]pyrimidin-5-o 7-[[[(1R)-2-methyl-1-[4-[(1R)-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 51226765
    • 8834227

  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)	5.14	10.96	-37.56	2	4	1	48	370.542	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.14	10.53	-10.59	1	4	0	46	369.534	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.14	11.58	-46.6	2	4	1	51	370.542	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC58052777
• 7803985
  

  Analogs

  7803989

  

  7872634

  

  7872636

  

  57290100

  

  57290102

  

  Popular Name: 4-[[1-(4-isopropylphenyl)-2-methyl-propyl]aminomethyl]-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trie 4-[[1-(4-isopropylphenyl)-2-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-004-208-758

  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)	4.80	0.94	-46.91	2	4	1	50	356.515	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07803985
• 7803989
  

  Analogs

  7872634

  

  7872636

  

  57290100

  

  57290102

  

  57389679

  

  Popular Name: 4-[[1-(4-isopropylphenyl)-2-methyl-propyl]aminomethyl]-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trie 4-[[1-(4-isopropylphenyl)-2-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-004-208-758

  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)	4.80	0.96	-46.68	2	4	1	50	356.515	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC07803989