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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC43479549

• 43479549

Physical Representations

Activity (Go SEA)

• 21062731
  

  Analogs

  43479549

  

  Popular Name: 4-[(3-chloro-4-hydroxy-benzoyl)amino]-3-methyl-benzoic 4-[(3-chloro-4-hydroxy-benzoyl)a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29302535

  • Enamine BB Make on Demand

    • BBR-041775

  • UORSY BB Make-on-demand

    • BBR-041775

  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)	3.50	4.75	-62.12	2	5	-1	89	304.709	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.50	5.41	-97.36	1	5	-2	92	303.701	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21062731
• 20881404
  

  Analogs

  26482501

  

  32122047

  

  32122054

  

  32145043

  

  36805011

  

  Popular Name: 4-[(3-chlorophenyl)methylamino]-3-methyl-benzoic 4-[(3-chlorophenyl)methylamino]-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • F-025909

  • PubChem

    • 17059846

  • AKOS (make-on-demand)

    • AKOS002632166

  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)	4.14	8.01	-55.65	1	3	-1	52	274.727	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	4.14	6.9	-10.18	2	3	0	49	275.735	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20881404
• 37120758
  

  Analogs

  43479549

  

  20881370

  

  Popular Name: 4-[(3,5-dichloro-2-hydroxy-phenyl)methylamino]-3-methyl-benzoic 4-[(3,5-dichloro-2-hydroxy-pheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43736132

  • Enamine BB Make on Demand

    • BBV-27209994

  • UORSY BB Make-on-demand

    • BBV-27209994

  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)	4.47	6.67	-53.28	2	4	-1	72	325.171	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.47	7.42	-91.37	1	4	-2	75	324.163	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	4.47	4.7	-9.28	3	4	0	70	326.179	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37120758
• 37120765
  

  Analogs

  43479549

  

  20881439

  

  Popular Name: 4-[(5-chloro-2-hydroxy-phenyl)methylamino]-3-methyl-benzoic 4-[(5-chloro-2-hydroxy-phenyl)me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43736136

  • Enamine BB Make on Demand

    • BBV-27209998

  • UORSY BB Make-on-demand

    • BBV-27209998

  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)	4.08	6.12	-53.63	2	4	-1	72	290.726	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.08	6.88	-94.24	1	4	-2	75	289.718	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	4.08	4.15	-9.05	3	4	0	70	291.734	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37120765
• 37120575
  

  Analogs

  43479549

  

  16578438

  

  Popular Name: 4-[(4-hydroxyphenyl)methylamino]-3-methyl-benzoic 4-[(4-hydroxyphenyl)methylamino]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43736024

  • Enamine BB Make on Demand

    • BBV-27209884

  • UORSY BB Make-on-demand

    • BBV-27209884

  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)	3.00	5.57	-53.81	2	4	-1	72	256.281	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.00	3.6	-9.35	3	4	0	70	257.289	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37120575
• 20352548
  

  Analogs

  43479549

  

  Popular Name: 4-[(3-chloro-4-methoxy-benzoyl)amino]-3-methyl-benzoic 4-[(3-chloro-4-methoxy-benzoyl)a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ZereneX Building Blocks

    • E/8012968

  • Scientific Exchange (make on demand)

    • M-969258

  • PubChem

    • 17341401
    • 28872952

  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)	3.78	6.8	-63.72	1	5	-1	78	318.736	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20352548
• 20881418
  

  Analogs

  32122047

  

  37099348

  

  37115353

  

  37115354

  

  37115417

  

  Popular Name: 4-[(3,4-dichlorophenyl)methylamino]-3-methyl-benzoic 4-[(3,4-dichlorophenyl)methylami…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • F-025923

  • PubChem

    • 17059860

  • AKOS (make-on-demand)

    • AKOS002631850

  • Enamine BB Make on Demand

    • BBV-27118458

  • UORSY BB Make-on-demand

    • BBV-27118458

  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)	4.76	8.47	-56.09	1	3	-1	52	309.172	4	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	4.76	7.36	-11.33	2	3	0	49	310.18	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20881418
• 19273254
  

  Analogs

  43479549

  

  7003464

  

  Popular Name: 4-[(3-chloro-4-hydroxy-benzoyl)amino]benzoic 4-[(3-chloro-4-hydroxy-benzoyl)a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20115333
    • 28120794

  • Enamine BB Make on Demand

    • BBV-042319

  • UORSY BB Make-on-demand

    • BBV-042319

  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)	3.13	3.95	-59.79	2	5	-1	89	290.682	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.13	4.61	-95.32	1	5	-2	92	289.674	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19273254
• 20142530
  

  Analogs

  43479549

  

  Popular Name: 4-[(3,5-dichloro-4-methoxy-benzoyl)amino]-3-methyl-benzoic 4-[(3,5-dichloro-4-methoxy-benzo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ZereneX Building Blocks

    • E/8013124

  • Scientific Exchange (make on demand)

    • F-309624

  • PubChem

    • 28673834

  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)	4.38	8.47	-53.54	1	5	-1	78	353.181	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20142530