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

ZINC33812705

• 33812705

Physical Representations

Activity (Go SEA)

• 9461797
  

  Analogs

  33774965

  

  33811956

  

  33811957

  

  33811958

  

  33811959

  

  Popular Name: 6-(4-ethylpiperazin-1-yl)-5-[(3-isobutyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-2 6-(4-ethylpiperazin-1-yl)-5-[(3-…

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  Vendors

  • Vitas-M

    • STL004604

  • eMolecules

    • 26318527

  • IBScreen

    • STOCK3S-82346

  • Mcule

    • MCULE-6434293311

  • Otava

    • 1003739

  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)	2.23	0.34	-64.89	1	7	1	75	460.649	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09461797
• 2255905
  

  Analogs

  6310960

  

  6310961

  

  6311473

  

  6311474

  

  6311475

  

  Popular Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-keto-5-[(Z)-(4-keto-3-propyl-2-thioxo-thiazolidin-5-ylidene)methyl 6-(4-ethylpiperazin-4-ium-1-yl)-…

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  Vendors

  • Vitas-M

    • STL001830

  • eMolecules

    • 26193537

  • IBScreen

    • STOCK3S-88689

  • Mcule

    • MCULE-5493460958

  • Otava

    • 1003738

  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)	1.99	0.08	-65.69	1	7	1	75	446.622	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02255905
• 2222538
  

  Analogs

  6310960

  

  6310961

  

  6311474

  

  6311475

  

  6390805

  

  Popular Name: 2-keto-5-[(Z)-[4-keto-3-[(1S)-1-methylpropyl]-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6- 2-keto-5-[(Z)-[4-keto-3-[(1S)-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL056711

  • eMolecules

    • 26365726

  • IBScreen

    • STOCK5S-39412

  • Mcule

    • MCULE-5207031875

  • Innovapharm Make-on-Demand

    • VT-00056872

  And 6 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)	1.97	0.41	-65.23	1	7	1	75	446.622	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02222538
• 2222535
  

  Analogs

  6310960

  

  6310961

  

  6311474

  

  6311475

  

  6390805

  

  Popular Name: 2-keto-5-[(Z)-[4-keto-3-[(1R)-1-methylpropyl]-2-thioxo-thiazolidin-5-ylidene]methyl]-1,4-dimethyl-6- 2-keto-5-[(Z)-[4-keto-3-[(1R)-1-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL056711

  • eMolecules

    • 26365726

  • IBScreen

    • STOCK5S-39412

  • Mcule

    • MCULE-5207031875

  • Innovapharm Make-on-Demand

    • VT-00056872

  And 6 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)	1.97	0.53	-65.65	1	7	1	75	446.622	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02222535
• 2249167
  

  Analogs

  6310432

  

  33811958

  

  33811959

  

  33811960

  

  33811961

  

  Popular Name: 5-[(Z)-(3-isoamyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-6-(4-methylpiper 5-[(Z)-(3-isoamyl-4-keto-2-thiox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL240449

  • eMolecules

    • 26241214

  • IBScreen

    • STOCK3S-79604

  • Mcule

    • MCULE-1214105031

  • Otava

    • 1003726

  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)	2.38	0.32	-66.73	1	7	1	75	460.649	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02249167
• 2249614
  

  Analogs

  6311473

  

  6311474

  

  6311476

  

  6311663

  

  6419379

  

  Popular Name: 5-[(Z)-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(4-ethylpiperazin-4-ium-1-yl)-2-keto 5-[(Z)-(3-ethyl-4-keto-2-thioxo-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL002100

  • eMolecules

    • 26193125

  • IBScreen

    • STOCK3S-80180

  • Mcule

    • MCULE-1803776875

  • Otava

    • 1003737

  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)	1.48	0.01	-65.71	1	7	1	75	432.595	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02249614
• 2245717
  

  Analogs

  6310432

  

  33716006

  

  33811956

  

  33811957

  

  33811960

  

  Popular Name: 5-[(Z)-(3-amyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-(4-ethylpiperazin-4-ium-1-yl)-2-keto- 5-[(Z)-(3-amyl-4-keto-2-thioxo-t…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL001839

  • eMolecules

    • 206972590

  • Enamine

    • Z57390434

  • IBScreen

    • STOCK3S-75867

  • Mcule

    • MCULE-8525108045

  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)	3.05	0.32	-65.72	1	7	1	75	474.676	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02245717
• 20192913
  

  Analogs

  33812036

  

  33812037

  

  33812468

  

  33812469

  

  33812474

  

  Popular Name: 6-(4-benzylpiperazin-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-thioxo-thiazolidin-5-ylidene) 6-(4-benzylpiperazin-1-yl)-1,4-d…

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  Vendors

  • Vitas-M

    • STL002598

  • eMolecules

    • 26317037

  • IBScreen

    • STOCK3S-76650

  • Mcule

    • MCULE-6958813884

  • Otava

    • 1003805

  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)	3.01	12.12	-16.63	0	7	0	74	507.685	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20192913
• 2441802
  

  Analogs

  6311476

  

  6311663

  

  6419380

  

  6419383

  

  6419384

  

  Popular Name: 5-[(Z)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-keto-1,4-dimethyl-6-(4-methylpiperaz 5-[(Z)-(3-allyl-4-keto-2-thioxo-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK583026

  • eMolecules

    • 26363688

  • IBScreen

    • STOCK5S-29105

  • Mcule

    • MCULE-7010013931

  • Otava

    • 1003725

  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)	1.38	0.08	-66.82	1	7	1	75	430.579	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02441802