User Information

• Synonyms (0)
• Vendors (1)
• Annotations (2)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC06563692

• 6563692

Physical Representations

Activity (Go SEA)

• 6597981
  

  Analogs

  6635379

  

  6635380

  

  6635383

  

  6635385

  

  6636052

  

  Popular Name: N-(1-isopentyl-2-oxo-indolin-3-ylidene)amino-3,4-dimethoxy-benzamide N-(1-isopentyl-2-oxo-indolin-3-y…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 6995924

  • PubChem

    • 6764311

  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)	3.70	8.65	-22.16	1	7	0	82	395.459	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06597981
• 6598004
  

  Analogs

  6635393

  

  6636060

  

  6636070

  

  6636071

  

  6636072

  

  Popular Name: 2-hydroxy-N-(1-isopentyl-2-oxo-indolin-3-ylidene)amino-benzamide 2-hydroxy-N-(1-isopentyl-2-oxo-i…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • American Custom Chemicals Corp.

    • CHM0208791

  • PubChem

    • 51424964
    • 40628783

  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)	4.54	7.98	-22.06	2	6	0	84	351.406	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.54	8.98	-68.33	1	6	-1	87	350.398	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.54	9.15	-63.3	1	6	-1	87	350.398	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06598004
• 13943373
  

  Analogs

  6563692

  

  6563917

  

  Popular Name: 2-hydroxy-N-[(5-methoxy-1-methyl-2-oxo-indolin-3-ylidene)amino]benzamide 2-hydroxy-N-[(5-methoxy-1-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK048461

  • eMolecules

    • 46397203
    • 27015550

  • Molport

    • MolPort-007-565-097

  • ChemDiv

    • 4420-0334

  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)	2.92	4.29	-21.17	2	7	0	93	325.324	3	↓ MOL2 SDF SMILES Flexibase
  Ref Reference (pH 7)	2.92	4.46	-17.06	2	7	0	93	325.324	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.92	5.47	-64.74	1	7	-1	96	324.316	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13943373
• 16805046
  

  Analogs

  6563691

  

  6563692

  

  Popular Name: N-[(1-butyl-2-oxo-indolin-3-ylidene)amino]-2-hydroxy-benzamide N-[(1-butyl-2-oxo-indolin-3-ylid…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 26110422

  • Molport

    • MolPort-002-370-503

  • ChemDiv

    • 2396-0105

  • Innovapharm

    • STT-00066698

  • Life Chemicals

    • F1048-0964

  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)	4.33	7.63	-15.43	2	6	0	84	337.379	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.33	8.64	-62.94	1	6	-1	87	336.371	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.33	8.47	-68.61	1	6	-1	87	336.371	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC16805046
• 40849193
  

  Analogs

  33959351

  

  33959352

  

  Popular Name: N-[(Z)-(1-hexyl-5-methoxy-2-oxo-indolin-3-ylidene)amino]benzamide N-[(Z)-(1-hexyl-5-methoxy-2-oxo-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChEMBL12

    • CHEMBL509491

  • ChEMBL19

    • CHEMBL509491

  • PubChem

    • 68476497
    • 25033719

  • SureChEMBL

    • SCHEMBL3009051

  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)	4.88	9.94	-14.96	1	6	0	73	379.46	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC40849193
• 3575159
  

  Analogs

  6563692

  

  6635383

  

  6635393

  

  6636071

  

  6636072

  

  Popular Name: N-[(Z)-(1-amyl-2-keto-indolin-3-ylidene)amino]-2-hydroxy-benzamide N-[(Z)-(1-amyl-2-keto-indolin-3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 26665041

  • Molport

    • MolPort-004-917-020

  • American Custom Chemicals Corp.

    • CHM0208816

  • ChemDiv

    • 3074-0012

  • Innovapharm

    • STT-00283049

  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)	4.83	8.41	-15.39	2	6	0	84	351.406	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.83	9.25	-68.59	1	6	-1	87	350.398	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.83	9.42	-62.95	1	6	-1	87	350.398	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC03575159
• 5686519
  

  Analogs

  6563692

  

  6563918

  

  6633977

  

  6636072

  

  6636556

  

  Popular Name: N-(5-ethoxy-2-hydroxy-1-methyl-indol-3-yl)imino-2-hydroxy-benzamide N-(5-ethoxy-2-hydroxy-1-methyl-i…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 27015552

  • Molport

    • MolPort-007-565-098

  • ChemDiv

    • 4420-0335

  • Mcule

    • MCULE-9875326467

  • ChemDB

    • 6702165

  And 4 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)	3.30	5.2	-20.95	2	7	0	93	339.351	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.30	6.2	-68.39	1	7	-1	96	338.343	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.30	6.37	-64.95	1	7	-1	96	338.343	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05686519