User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (15)

ZINC36955518

• 36955518

Physical Representations

Activity (Go SEA)

• 37777927
  

  Analogs

  19903985

  

  19903848

  

  Popular Name: 3-[(2-ethoxy-4-methyl-anilino)methyl]phenol 3-[(2-ethoxy-4-methyl-anilino)me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54864734

  • Enamine BB Make on Demand

    • BBV-32137293

  • UORSY BB Make-on-demand

    • BBV-32137293

  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	5.25	-5.68	2	3	0	41	257.333	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37777927
• 37778150
  

  Analogs

  59787703

  

  34949882

  

  36955518

  

  35044554

  

  Popular Name: N-isopropyl-4-methyl-2-propoxy-aniline N-isopropyl-4-methyl-2-propoxy-a…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60935399

  • Enamine BB Make on Demand

    • BBV-32137451

  • UORSY BB Make-on-demand

    • BBV-32137451

  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)	4.45	6.61	-3.05	1	2	0	21	207.317	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778150
• 37778154
  

  Analogs

  36955518

  

  35044554

  

  Popular Name: 3-[(4-methyl-2-propoxy-anilino)methyl]phenol 3-[(4-methyl-2-propoxy-anilino)m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60935528

  • Enamine BB Make on Demand

    • BBV-32137454

  • UORSY BB Make-on-demand

    • BBV-32137454

  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)	4.00	6.05	-5.43	2	3	0	41	271.36	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778154
• 37778156
  

  Analogs

  59787703

  

  36955518

  

  35044554

  

  Popular Name: N-ethyl-4-methyl-2-propoxy-aniline N-ethyl-4-methyl-2-propoxy-aniline

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60935530

  • Enamine BB Make on Demand

    • BBV-32137456

  • UORSY BB Make-on-demand

    • BBV-32137456

  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)	3.48	5.91	-3.24	1	2	0	21	193.29	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778156
• 37778181
  

  Analogs

  48654518

  

  48655324

  

  35044848

  

  19903873

  

  Popular Name: 4-methyl-2-propoxy-N-(4-pyridylmethyl)aniline 4-methyl-2-propoxy-N-(4-pyridylm…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54864645

  • Enamine BB Make on Demand

    • BBV-32137476

  • UORSY BB Make-on-demand

    • BBV-32137476

  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)	3.22	7.15	-5.24	1	3	0	34	256.349	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.22	7.6	-34.82	2	3	1	35	257.357	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778181
• 37778183
  

  Analogs

  36955471

  

  36955432

  

  Popular Name: 4-[(4-methyl-2-propoxy-anilino)methyl]benzene-1,2-diol 4-[(4-methyl-2-propoxy-anilino)m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60936434

  • Enamine BB Make on Demand

    • BBV-32137478

  • UORSY BB Make-on-demand

    • BBV-32137478

  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)	3.54	3.97	-7.52	3	4	0	62	287.359	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778183
• 37778187
  

  Analogs

  36955377

  

  36955576

  

  Popular Name: 2-[(4-methyl-2-propoxy-anilino)methyl]phenol 2-[(4-methyl-2-propoxy-anilino)m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60934672

  • Enamine BB Make on Demand

    • BBV-32137482

  • UORSY BB Make-on-demand

    • BBV-32137482

  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)	4.45	6.09	-5.96	2	3	0	41	271.36	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778187
• 37778191
  

  Analogs

  35044554

  

  36955518

  

  Popular Name: N-[(3-methoxyphenyl)methyl]-4-methyl-2-propoxy-aniline N-[(3-methoxyphenyl)methyl]-4-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60934797

  • Enamine BB Make on Demand

    • BBV-32137485

  • UORSY BB Make-on-demand

    • BBV-32137485

  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	8.2	-5.46	1	3	0	30	285.387	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778191
• 37778199
  

  Analogs

  36955471

  

  36955432

  

  Popular Name: 4-[(4-methyl-2-propoxy-anilino)methyl]phenol 4-[(4-methyl-2-propoxy-anilino)m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60935045

  • Enamine BB Make on Demand

    • BBV-32137491

  • UORSY BB Make-on-demand

    • BBV-32137491

  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)	4.03	6.05	-5.28	2	3	0	41	271.36	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778199
• 37778201
  

  Analogs

  36955471

  

  36955432

  

  Popular Name: N-[(4-methoxyphenyl)methyl]-4-methyl-2-propoxy-aniline N-[(4-methoxyphenyl)methyl]-4-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60935047

  • Enamine BB Make on Demand

    • BBV-32137493

  • UORSY BB Make-on-demand

    • BBV-32137493

  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)	4.56	8.2	-5.09	1	3	0	30	285.387	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778201
• 37778246
  

  Analogs

  36955518

  

  35044554

  

  Popular Name: N-benzyl-4-methyl-2-propoxy-aniline N-benzyl-4-methyl-2-propoxy-aniline

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54864506

  • Enamine BB Make on Demand

    • BBV-32137522

  • UORSY BB Make-on-demand

    • BBV-32137522

  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)	4.51	8.9	-3.83	1	2	0	21	255.361	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37778246
• 37780024
  

  Analogs

  36955518

  

  35044554

  

  Popular Name: 3-[(2-isobutoxyanilino)methyl]phenol 3-[(2-isobutoxyanilino)methyl]ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60936359

  • Enamine BB Make on Demand

    • BBV-32138687

  • UORSY BB Make-on-demand

    • BBV-32138687

  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)	3.82	6.07	-5.18	2	3	0	41	271.36	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37780024
• 37780056
  

  Analogs

  36955471

  

  36955432

  

  Popular Name: 4-[(2-isobutoxyanilino)methyl]benzene-1,2-diol 4-[(2-isobutoxyanilino)methyl]be…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60935208

  • Enamine BB Make on Demand

    • BBV-32138713

  • UORSY BB Make-on-demand

    • BBV-32138713

  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)	3.36	3.99	-7.29	3	4	0	62	287.359	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37780056
• 37780065
  

  Analogs

  35044554

  

  32132566

  

  Popular Name: 2-isobutoxy-N-[(3-methoxyphenyl)methyl]aniline 2-isobutoxy-N-[(3-methoxyphenyl)…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60935583

  • Enamine BB Make on Demand

    • BBV-32138721

  • UORSY BB Make-on-demand

    • BBV-32138721

  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)	4.36	8.22	-5.22	1	3	0	30	285.387	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37780065
• 37783491
  

  Analogs

  36955471

  

  36955432

  

  Popular Name: 2-methoxy-4-methyl-N-[(4-propoxyphenyl)methyl]aniline 2-methoxy-4-methyl-N-[(4-propoxy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60931355

  • Enamine BB Make on Demand

    • BBV-32140731

  • UORSY BB Make-on-demand

    • BBV-32140731

  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)	4.56	8.2	-5.03	1	3	0	30	285.387	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37783491