User Information

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

ZINC37110194

• 37110194

Physical Representations

Activity (Go SEA)

• 46601545
  

  Analogs

  36789127

  

  37079490

  

  Popular Name: 4-[[2-[cyclopropyl(methyl)amino]acetyl]amino]benzamide 4-[[2-[cyclopropyl(methyl)amino]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47170840

  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)	0.70	3.13	-46.29	4	5	1	77	248.306	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC46601545
• 31945410
  

  Analogs

  31945411

  

  31945413

  

  31945414

  

  31945415

  

  31945416

  

  Popular Name: N-(4-carbamothioylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide N-(4-carbamothioylphenyl)-2-[4-(…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39160490

  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)	0.57	1.1	-48.71	5	6	1	83	323.442	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.57	-1.23	-22.47	4	6	0	82	322.434	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31945410
• 19397366
  

  Analogs

  36788568

  

  36789127

  

  36790023

  

  36790682

  

  36790684

  

  Popular Name: N-[4-(aminomethyl)phenyl]-2-(butyl-methyl-amino)acetamide N-[4-(aminomethyl)phenyl]-2-(but…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20121031
    • 28155555

  • Enamine BB Make on Demand

    • BBV-051178

  • UORSY BB Make-on-demand

    • BBV-051178

  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)	2.14	5.21	-92.83	5	4	2	61	251.374	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.14	2.89	-50.43	4	4	1	60	250.366	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19397366
• 20484626
  

  Analogs

  36789127

  

  36790023

  

  36790682

  

  36790684

  

  37094542

  

  Popular Name: N-[4-(aminomethyl)phenyl]-2-(dibutylamino)acetamide N-[4-(aminomethyl)phenyl]-2-(dib…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28982430

  • UORSY BB Make-on-demand

    • BBV-241654

  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)	3.57	7.18	-93.62	5	4	2	61	293.455	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.57	4.94	-50.88	4	4	1	60	292.447	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20484626
• 21518285
  

  Analogs

  21805840

  

  21813849

  

  21813850

  

  31945402

  

  31945403

  

  Popular Name: (2R)-N-(4-carbamothioylphenyl)-2-(4-hydroxy-1-piperidyl)propanamide (2R)-N-(4-carbamothioylphenyl)-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43107043
    • 29562347

  • UORSY BB Make-on-demand

    • BBR-050013

  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)	0.30	2.87	-58.02	5	5	1	80	308.427	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.30	0.61	-20.61	4	5	0	79	307.419	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21518285
• 20036055
  

  Analogs

  36788393

  

  37109542

  

  37110194

  

  37110195

  

  37112459

  

  Popular Name: 2-(1,1-dimethylpropylamino)-N-(p-tolyl)acetamide 2-(1,1-dimethylpropylamino)-N-(p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Mcule

    • MCULE-7289477379

  • PubChem

    • 28565412
    • 45841798

  • Enamine BB Make on Demand

    • BBV-144139

  • Mcule Make-on-demand

    • MCULE-2140960776

  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)	3.41	5.78	-41.05	3	3	1	46	235.351	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.41	4.54	-9.34	2	3	0	41	234.343	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20036055
• 22153889
  

  Analogs

  34654591

  

  34654645

  

  34654686

  

  34654692

  

  34654694

  

  Popular Name: (2R)-N-[4-(aminomethyl)phenyl]-2-(dipropylamino)propanamide (2R)-N-[4-(aminomethyl)phenyl]-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30058814
    • 16779141

  • Enamine BB Make on Demand

    • BBV-017271

  • UORSY BB Make-on-demand

    • BBV-017271

  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)	2.42	6.12	-89.52	5	4	2	61	279.428	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.42	3.94	-49.08	4	4	1	60	278.42	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22153889