User Information

• Synonyms (1)
• Vendors (6)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (12)

ZINC11957602

• 11957602

Physical Representations

Activity (Go SEA)

• 11957642
  

  Analogs

  19504370

  

  38673051

  

  11957602

  

  Popular Name: (2S)-2-amino-N-(2,4,6-trimethylphenyl)propanamide (2S)-2-amino-N-(2,4,6-trimethylp…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 22690495
    • 10375705
    • 42311035

  • Enamine BB Make on Demand

    • BBV-32492994
    • BBV-32799081

  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)	0.59	3.87	-46.21	4	3	1	57	207.297	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11957642
• 19504370
  

  Analogs

  11957602

  

  Popular Name: 2-Amino-N-(2,4-dimethyl-phenyl)-propionamide 2-Amino-N-(2,4-dimethyl-phenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport BB

    • MolPort-004-345-335

  • PBMR Labs Building Blocks

    • RBK_028214

  • Innovapharm BB Make on Demand

    • BBV-00036933

  • PubChem

    • 24704898
    • 28204904

  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)	1.15	2.9	-48.3	4	3	1	57	193.27	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.15	2.58	-10.53	3	3	0	55	192.262	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19504370
• 37003894
  

  Analogs

  31964496

  

  31965169

  

  Popular Name: (2R)-N-(5-acetamido-2-methyl-phenyl)-2-amino-propanamide (2R)-N-(5-acetamido-2-methyl-phe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54991119
    • 43697594

  • Enamine BB Make on Demand

    • BBV-33208712
    • BBV-27171086

  • UORSY BB Make-on-demand

    • BBV-27171086

  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)	-0.08	1.37	-53.48	5	5	1	86	236.295	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.08	1.05	-13.14	4	5	0	84	235.287	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37003894
• 37003895
  

  Analogs

  31964496

  

  31965169

  

  Popular Name: (2S)-N-(5-acetamido-2-methyl-phenyl)-2-amino-propanamide (2S)-N-(5-acetamido-2-methyl-phe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43697594

  • Enamine BB Make on Demand

    • BBV-32493477
    • BBV-27171086

  • UORSY BB Make-on-demand

    • BBV-27171086
    • BBV-32493477

  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)	-0.08	1.38	-53.45	5	5	1	86	236.295	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.08	1.04	-12.86	4	5	0	84	235.287	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37003895
• 37012596
  

  Analogs

  31964496

  

  31965169

  

  Popular Name: (2R)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]propanamide (2R)-2-amino-N-[2-methyl-5-(prop…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 54991517
    • 43700732

  • Enamine BB Make on Demand

    • BBV-33208768
    • BBV-27174275

  • UORSY BB Make-on-demand

    • BBV-27174275

  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)	0.76	2.19	-53.01	5	5	1	86	250.322	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.76	1.8	-12.11	4	5	0	84	249.314	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37012596
• 37026776
  

  Analogs

  41930910

  

  48012659

  

  48012669

  

  11957602

  

  Popular Name: 4-[[(2R)-2-aminopropanoyl]amino]-3-methyl-benzamide 4-[[(2R)-2-aminopropanoyl]amino]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43706656

  • Enamine BB Make on Demand

    • BBV-33208918
    • BBV-27180282

  • UORSY BB Make-on-demand

    • BBV-27180282
    • BBV-33208918

  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)	-0.48	-0.74	-53.99	6	5	1	100	222.268	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.48	-1.05	-12.89	5	5	0	98	221.26	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37026776
• 37040119
  

  Analogs

  11957602

  

  Popular Name: (2R)-2-amino-N-(3-hydroxy-2,4-dimethyl-phenyl)propanamide (2R)-2-amino-N-(3-hydroxy-2,4-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43710407

  • Enamine BB Make on Demand

    • BBV-33209025
    • BBV-27184081

  • UORSY BB Make-on-demand

    • BBV-27184081
    • BBV-33209025

  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)	0.86	0.39	-47.53	5	4	1	77	209.269	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.86	0.14	-9.46	4	4	0	75	208.261	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37040119
• 37040120
  

  Analogs

  11957602

  

  Popular Name: (2S)-2-amino-N-(3-hydroxy-2,4-dimethyl-phenyl)propanamide (2S)-2-amino-N-(3-hydroxy-2,4-di…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61146654
    • 43710407

  • Enamine BB Make on Demand

    • BBV-32493789
    • BBV-27184081

  • UORSY BB Make-on-demand

    • BBV-27184081

  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)	0.86	0.39	-47.42	5	4	1	77	209.269	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.86	0.12	-9.23	4	4	0	75	208.261	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37040120
• 37040679
  

  Analogs

  42477052

  

  42477054

  

  28604357

  

  Popular Name: (2S)-2-amino-N-[2-(hydroxymethyl)phenyl]propanamide (2S)-2-amino-N-[2-(hydroxymethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61146970
    • 43710743

  • Enamine BB Make on Demand

    • BBV-32493797
    • BBV-27184421

  • UORSY BB Make-on-demand

    • BBV-27184421

  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)	-0.39	-0.78	-48.89	5	4	1	77	195.242	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.39	-1.11	-10.25	4	4	0	75	194.234	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37040679
• 37040680
  

  Analogs

  42477052

  

  42477054

  

  28604357

  

  Popular Name: (2R)-2-amino-N-[2-(hydroxymethyl)phenyl]propanamide (2R)-2-amino-N-[2-(hydroxymethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43710743

  • Enamine BB Make on Demand

    • BBV-33209034
    • BBV-27184421

  • UORSY BB Make-on-demand

    • BBV-27184421
    • BBV-33209034

  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)	-0.39	-0.8	-48.82	5	4	1	77	195.242	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.39	-1.12	-10.46	4	4	0	75	194.234	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37040680
• 38673051
  

  Analogs

  11957602

  

  Popular Name: (2R)-2-amino-N-(2,4,6-trimethylphenyl)propanamide (2R)-2-amino-N-(2,4,6-trimethylp…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 10375705

  • Enamine BB Make on Demand

    • BBV-33208228
    • BBV-32799081

  • UORSY BB Make-on-demand

    • BBV-32799081
    • BBV-33208228

  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)	0.59	3.86	-45.22	4	3	1	57	207.297	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.59	3.54	-8.36	3	3	0	55	206.289	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC38673051
• 42204950
  

  Analogs

  32125924

  

  32125923

  

  11957578

  

  Popular Name: (2R)-2-amino-N-(2-cyanophenyl)propanamide (2R)-2-amino-N-(2-cyanophenyl)pr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 60638927

  • Enamine BB Make on Demand

    • BBV-33208365
    • BBV-32799077

  • UORSY BB Make-on-demand

    • BBV-32799077
    • BBV-33208365

  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)	0.03	1.96	-46.23	4	4	1	81	190.226	2	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.03	1.63	-6.55	3	4	0	79	189.218	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42204950