User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (11)

ZINC34978355

• 34978355

Physical Representations

Activity (Go SEA)

• 45686378
  

  Analogs

  57381074

  

  59539183

  

  34978355

  

  Popular Name: N1-[4-(dimethylamino)butyl]-2-methyl-benzene-1,4-diamine N1-[4-(dimethylamino)butyl]-2-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61963664

  • Enamine BB Make on Demand

    • BBV-33662823

  • UORSY BB Make-on-demand

    • BBV-33662823

  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)	1.82	5.61	-36.57	4	3	1	42	222.356	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45686378
• 45686677
  

  Analogs

  57381074

  

  57381079

  

  57381092

  

  59539183

  

  37371746

  

  Popular Name: N1-[4-[isopropyl(methyl)amino]butyl]-2-methyl-benzene-1,4-diamine N1-[4-[isopropyl(methyl)amino]bu…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61963670

  • Enamine BB Make on Demand

    • BBV-33662929

  • UORSY BB Make-on-demand

    • BBV-33662929

  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)	2.49	6.8	-34.82	4	3	1	42	250.41	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45686677
• 5931894
  

  Analogs

  34978355

  

  34978356

  

  Popular Name: 3-Methyl-4-(pyrrolidin-1-yl)aniline 3-Methyl-4-(pyrrolidin-1-yl)aniline

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 3227978

  • Molport

    • MolPort-004-272-002

  • AK Scientific

    • 5144AD

  • Ark Pharm Building Blocks

    • AK-63267

  • Bide Pharmatech BB

    • BD18676

  And 33 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)	1.90	5.44	-26.67	3	2	1	30	177.271	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05931894
• 20134922
  

  Analogs

  34978355

  

  39271585

  

  44657200

  

  45686514

  

  45686887

  

  Popular Name: 5-amino-2-butylamino-benzonitrile 5-amino-2-butylamino-benzonitrile

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange Building Blocks

    • F-331509

  • PubChem

    • 17609513

  • Enamine BB Make on Demand

    • BBV-32642590

  • UORSY BB Make-on-demand

    • BBV-32642590

  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)	1.99	3.88	-5.78	3	3	0	62	189.262	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20134922
• 19965100
  

  Analogs

  32007038

  

  32007068

  

  32007070

  

  32007071

  

  32008507

  

  Popular Name: N-(2-methylphenyl)-N-propylamine N-(2-methylphenyl)-N-propylamine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport BB

    • MolPort-004-394-276

  • Zylexa Pharma BB

    • ZP-BB-CD003212

  • Innovapharm BB Make on Demand

    • BBV-00054851

  • Collaborative Drug Discovery

    • 956242

  • PubChem

    • 18006969

  And 10 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)	3.07	5.63	-2.88	1	1	0	12	149.237	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19965100
• 19801961
  

  Analogs

  34538346

  

  34978350

  

  34978355

  

  Popular Name: 1,4-Benzenediamine, N1-ethyl-2-methyl- (9CI) 1,4-Benzenediamine, N1-ethyl-2-m…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Chemstep

    • 14833

  • PubChem

    • 68122739
    • 11959052
    • 21453395

  • SureChEMBL

    • SCHEMBL11747086

  And 3 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)	1.62	2.72	-4.57	3	2	0	38	150.225	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19801961
• 6920241
  

  Analogs

  21787379

  

  21801865

  

  21804528

  

  32007335

  

  32007337

  

  Popular Name: N-(2,5-dimethylphenyl)-N-propylamine N-(2,5-dimethylphenyl)-N-propyla…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 17310998

  • Molport

    • MolPort-004-393-961

  • Mcule

    • MCULE-1071324155

  • Zylexa Pharma BB

    • ZP-BB-CD003213

  • Aronis BB Make-on-demand

    • BLOCK19920

  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)	3.50	0.55	-2.57	1	1	0	12	163.264	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06920241
• 19737776
  

  Analogs

  21787379

  

  21797701

  

  21804528

  

  21806336

  

  21809834

  

  Popular Name: N-(Cyclopropylmethyl)-2,5-dimethylaniline N-(Cyclopropylmethyl)-2,5-dimeth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 1511AE

  • Chembo Pharma

    • KB-299958

  • Chemstep

    • 851

  • Enamine Building Blocks

    • EN300-166424

  • Matrix Scientific

    • 031527

  And 6 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)	3.49	7.19	-3.25	1	1	0	12	175.275	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19737776
• 6920240
  

  Analogs

  32007038

  

  32007068

  

  32007070

  

  32007071

  

  32008504

  

  Popular Name: N-(2,6-Dimethylphenyl)-N-propylamine N-(2,6-Dimethylphenyl)-N-propyla…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 24462049

  • Molport

    • MolPort-006-067-596

  • ChemDiv BuildingBlocks

    • BB01-8205

  • Matrix Scientific

    • 038380

  • Mcule

    • MCULE-5266311174

  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)	2.54	6.17	-2.04	1	1	0	12	163.264	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06920240
• 5587942
  

  Analogs

  21804528

  

  32007335

  

  32007337

  

  34978355

  

  44656983

  

  Popular Name:

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-001-633-192

  • Alinda

    • IBS-L0064054

  • Aronis

    • m09686

  • Mcule

    • MCULE-5265030141

  • TimTec

    • ST45036567

  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)	2.53	-2.24	-4.83	2	2	0	32	193.29	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05587942
• 20134939
  

  Analogs

  34653217

  

  34978355

  

  42860213

  

  42860214

  

  42860216

  

  Popular Name: 5-amino-2-(pentylamino)benzonitrile 5-amino-2-(pentylamino)benzonitrile

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange Building Blocks

    • F-331514

  • PubChem

    • 17609518

  • Enamine BB Make on Demand

    • BBV-32642592

  • UORSY BB Make-on-demand

    • BBV-32642592

  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)	2.50	4.65	-5.76	3	3	0	62	203.289	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20134939