User Information

• Synonyms (0)
• Vendors (2)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC01218200

• 1218200

Physical Representations

Activity (Go SEA)

• 2954550
  

  Analogs

  5372905

  

  5372911

  

  5372915

  

  16666473

  

  33714382

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK926395

  • eMolecules

    • 25902257

  • ChemBridge

    • 6140746

  • Mcule

    • MCULE-1229756697

  • Princeton BioMolecular Research

    • OSSK_406805

  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)	4.72	1.19	-15.76	1	5	0	68	352.415	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02954550
• 5234142
  

  Analogs

  5372888

  

  5372911

  

  5372915

  

  5376862

  

  16937253

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 26990944

  • Molport

    • MolPort-007-549-850

  • ChemDiv

    • 0930-0036

  • Labotest

    • LT00145611

  • Mcule

    • MCULE-7096341651

  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)	4.81	8.71	-12.44	1	5	0	72	338.388	4	↓ MOL2 SDF SMILES Flexibase
  Ref Reference (pH 7)	4.32	8.59	-40.27	0	5	-1	70	337.38	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05234142
• 5593525
  

  Analogs

  1218200

  

  Popular Name: 4-[5-[(3-bromophenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic 4-[5-[(3-bromophenyl)methylene]-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemBridge

    • 7446206

  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)	4.85	-2.16	-59.63	1	5	-1	82	402.249	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05593525
• 8783585
  

  Analogs

  33714382

  

  33770107

  

  5372911

  

  Popular Name: ethyl ethyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-8574127581

  • Scientific Exchange (make on demand)

    • F-102228

  • ChemDB

    • 7693990

  • Collaborative Drug Discovery

    • 120395

  • PubChem

    • 17112449

  And 1 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	0.02	-19.3	1	6	0	72	395.484	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08783585
• 15746438
  

  Analogs

  16692417

  

  5376851

  

  1218200

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 25901119

  • Molport

    • MolPort-002-184-956

  • American Custom Chemicals Corp.

    • HCH0249156

  • ChemBridge

    • 6118601

  • Innovapharm

    • STT-00179143

  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)	5.13	8.89	-39.76	0	5	-1	70	416.276	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC15746438
• 16666473
  

  Analogs

  33714382

  

  39869760

  

  39869863

  

  39870118

  

  39870119

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm

    • STT-00174556

  • Mcule

    • MCULE-1229756697

  • TimTec Make-on-Demand

    • ST50150554

  • ChemDB

    • 4349965

  • PubChem

    • 2269628

  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)	4.72	10.18	-15.47	1	5	0	68	352.415	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16666473
• 17201290
  

  Analogs

  33714382

  

  39869657

  

  5372911

  

  Popular Name: methyl 4-({2-[(3-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)benzoate methyl 4-({2-[(3-methylphenyl)im…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AF-399/13428861

  • eMolecules

    • 45928468
    • 206923381
    • 45798274

  • Innovapharm

    • STT-00174545

  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)	5.24	9.37	-10.77	1	5	0	72	352.415	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.75	9.35	-41.28	0	5	-1	70	351.407	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC17201290
• 19791450
  

  Analogs

  33714382

  

  33932405

  

  5372911

  

  Popular Name: methyl 4-[(2-(4-fluoroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]benzoate methyl 4-[(2-(4-fluoroanilino)-4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AN-655/15261258

  • Vitas-M

    • STL035338

  • eMolecules

    • 25900828

  • Molport

    • MolPort-019-751-087

  • ChemBridge

    • 6111455

  And 9 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)	4.49	8.34	-39.76	0	5	-1	70	355.37	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.49	8.7	-19.33	1	5	0	68	356.378	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19791450
• 20236222
  

  Analogs

  1218200

  

  Popular Name: 4-[[(5E)-5-[(3-bromophenyl)methylene]-4-oxo-thiazolidin-2-ylidene]amino]benzoic 4-[[(5E)-5-[(3-bromophenyl)methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 25959475

  • Molport

    • MolPort-002-250-976

  • ChemBridge

    • 7446206

  • Mcule

    • MCULE-9931950583

  • ChemDB

    • 7209857

  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)	5.34	9.64	-50.79	1	5	-1	85	402.249	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.79	8.15	-99.65	0	5	-2	88	401.241	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.79	7.46	-92.53	0	5	-2	88	401.241	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20236222
• 1191072
  

  Analogs

  1218200

  

  5186574

  

  5372911

  

  5372915

  

  16928341

  

  Popular Name: methyl methyl

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK926389

  • eMolecules

    • 206923381
    • 25901975

  • Molport

    • MolPort-019-761-750
    • MolPort-009-032-330

  And 9 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)	5.24	9.02	-10.59	1	5	0	72	352.415	4	↓ MOL2 SDF SMILES Flexibase
  Ref Reference (pH 7)	5.24	9.46	-11.55	1	5	0	72	352.415	4	↓ MOL2 SDF SMILES Flexibase
  Ref Reference (pH 7)	4.75	8.89	-45	0	5	-1	70	351.407	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01191072