User Information

• Synonyms (0)
• Vendors (3)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (4)

ZINC12598000

• 12598000

Physical Representations

Activity (Go SEA)

• 33773700
  

  Analogs

  15012020

  

  15015924

  

  Popular Name: (5Z)-5-[(5-chloro-2-hydroxy-phenyl)methylene]-2-(4-methoxyanilino)thiazol-4-one (5Z)-5-[(5-chloro-2-hydroxy-phen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-5283841541

  • Scientific Exchange (make on demand)

    • M-406230

  • ChemDB

    • 5818652

  • Mcule Make-on-demand

    • MCULE-5283841541

  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)	5.29	5.18	-9.89	2	5	0	75	360.822	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.29	5.95	-36.61	1	5	-1	78	359.814	3	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	4.80	4.57	-43.66	1	5	-1	74	359.814	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33773700
• 39869765
  

  Analogs

  12598000

  

  Popular Name: (5Z)-5-[(3-chlorophenyl)methylene]-2-(2-hydroxy-6-methyl-anilino)thiazol-4-one (5Z)-5-[(3-chlorophenyl)methylen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00175690

  • PubChem

    • 18849981

  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)	4.94	6.18	-17.11	2	4	0	62	344.823	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.94	5.95	-46.7	1	4	-1	64	343.815	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39869765
• 39870331
  

  Analogs

  6457394

  

  15016620

  

  Popular Name: (5Z)-5-[(3-chlorophenyl)methylene]-2-(2-ethylanilino)thiazol-4-one (5Z)-5-[(3-chlorophenyl)methylen…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00176823

  • PubChem

    • 18850642

  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)	5.67	10.42	-13	1	3	0	42	342.851	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.67	9.71	-44.58	0	3	-1	44	341.843	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39870331
• 6473674
  

  Analogs

  12598000

  

  15013528

  

  15015486

  

  15015872

  

  15015924

  

  Popular Name: 2-anilino-5-[(3,5-dichloro-2-hydroxy-phenyl)methylene]thiazol-4-one 2-anilino-5-[(3,5-dichloro-2-hyd…

  Find On: PubMed — Wikipedia — Google

  Vendors

  None

  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	5.81	-40.47	1	4	-1	64	364.233	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.14	6.59	-91.56	0	4	-2	67	363.225	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06473674