User Information

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

ZINC37809441

• 37809441

Physical Representations

Activity (Go SEA)

• 20485587
  

  Analogs

  37809440

  

  37809441

  

  11958005

  

  Popular Name: (2R)-2-amino-N,N-dibutyl-propanamide (2R)-2-amino-N,N-dibutyl-propana…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28983156
    • 14515703

  • SureChEMBL

    • SCHEMBL9875218

  • Enamine BB Make on Demand

    • BBV-33208499
    • BBV-241827

  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)	1.75	4.5	-43.02	3	3	1	48	201.334	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.75	4.17	-7.56	2	3	0	46	200.326	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20485587
• 19432450
  

  Analogs

  37809440

  

  37809441

  

  37817901

  

  37817902

  

  11958005

  

  Popular Name: 2-Amino-N-butyl-N-methylpropanamide hydrochloride 2-Amino-N-butyl-N-methylpropanam…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 2893AD

  • Ark Pharm Building Blocks

    • AK-75476

  • Matrix Scientific

    • 052223

  • PubChem

    • 53409091
    • 24693059

  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)	0.31	2.01	-42.83	3	3	1	48	159.253	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.31	1.68	-8.72	2	3	0	46	158.245	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19432450
• 19801794
  

  Analogs

  37809440

  

  37809441

  

  37817901

  

  37817902

  

  11958005

  

  Popular Name: (2R)-2-amino-N-butyl-N-ethyl-propanamide (2R)-2-amino-N-butyl-N-ethyl-pro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28364191
    • 24711402

  • Enamine BB Make on Demand

    • BBV-33208346
    • BBV-089761

  • UORSY BB Make-on-demand

    • BBV-33208346

  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)	0.68	2.97	-42.53	3	3	1	48	173.28	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.68	2.63	-7.85	2	3	0	46	172.272	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19801794
• 19801796
  

  Analogs

  37809419

  

  37809440

  

  37809441

  

  37817901

  

  37817902

  

  Popular Name: (2S)-2-amino-N-butyl-N-ethyl-propanamide (2S)-2-amino-N-butyl-N-ethyl-pro…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28364193
    • 24711402

  • Enamine BB Make on Demand

    • BBV-32493112
    • BBV-089761

  • UORSY BB Make-on-demand

    • BBV-32493112

  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)	0.68	2.97	-42.5	3	3	1	48	173.28	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.68	2.62	-8.66	2	3	0	46	172.272	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19801796
• 11958005
  

  Analogs

  19432450

  

  19801794

  

  19801796

  

  20485587

  

  20485590

  

  Popular Name: 2-Amino-N-butyl-N-methylpropanamide hydrochloride 2-Amino-N-butyl-N-methylpropanam…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 2893AD

  • Ark Pharm Building Blocks

    • AK-75476

  • Matrix Scientific

    • 052223

  • PubChem

    • 53409091
    • 22690570

  And 8 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)	0.31	2.07	-41.65	3	3	1	48	159.253	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11958005
• 20485590
  

  Analogs

  37809440

  

  37809441

  

  37817901

  

  37817902

  

  11958005

  

  Popular Name: (2S)-2-amino-N,N-dibutyl-propanamide (2S)-2-amino-N,N-dibutyl-propana…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 28983160
    • 14515703

  • SureChEMBL

    • SCHEMBL9875218

  • Enamine BB Make on Demand

    • BBV-32493263
    • BBV-241827

  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)	1.75	4.36	-43.05	3	3	1	48	201.334	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.75	4.04	-8.2	2	3	0	46	200.326	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20485590
• 11957328
  

  Analogs

  19426088

  

  37809440

  

  37809441

  

  41679570

  

  41679571

  

  Popular Name: 2-amino-1-(pyrrolidin-1-yl)propan-1-one 2-amino-1-(pyrrolidin-1-yl)propa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-003-787-655
    • MolPort-016-577-523

  • AK Scientific

    • 8150AD
    • V6641

  • Alinda Building Blocks

    • ALBB-022657

  And 40 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)	-0.73	0.82	-42.07	3	3	1	48	143.21	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC11957328
• 19426088
  

  Analogs

  37809440

  

  37809441

  

  41679570

  

  41679571

  

  41679613

  

  Popular Name: 2-amino-1-(pyrrolidin-1-yl)propan-1-one 2-amino-1-(pyrrolidin-1-yl)propa…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-016-577-523

  • AK Scientific

    • 8150AD
    • V6641

  • Alinda Building Blocks

    • ALBB-022657

  • Ark Pharm Building Blocks

    • AK-75470

  And 29 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)	-0.73	0.84	-42.8	3	3	1	48	143.21	1	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	-0.73	0.5	-9.41	2	3	0	46	142.202	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19426088
• 37171770
  

  Analogs

  37809440

  

  37809441

  

  37810076

  

  37810077

  

  37814442

  

  Popular Name: (2S)-2-amino-N-methyl-N-pentyl-propanamide (2S)-2-amino-N-methyl-N-pentyl-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61146000
    • 43294999

  • Enamine BB Make on Demand

    • BBV-32493308
    • BBV-15812681

  • UORSY BB Make-on-demand

    • BBV-15812681

  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)	0.81	2.87	-41.45	3	3	1	48	173.28	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.81	2.56	-7.95	2	3	0	46	172.272	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37171770