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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (8)

ZINC37984991

• 37984991

Physical Representations

Activity (Go SEA)

• 20086747
  

  Analogs

  37984991

  

  6675787

  

  Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pentan-1-amine N-(2,3-dihydro-1,4-benzodioxin-6…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • F-023024

  • Otava (Virtual)

    • 1393588

  • PubChem

    • 28612062
    • 17056626

  • AKOS (make-on-demand)

    • AKOS002623513

  And 2 More

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  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)	2.95	6.7	-44.72	2	3	1	35	236.335	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20086747
• 20120851
  

  Analogs

  37984991

  

  Popular Name: (2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-pentan-1-amine (2R)-N-(2,3-dihydro-1,4-benzodio…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43202181
    • 28643621

  • Enamine BB Make on Demand

    • BBV-163348

  • UORSY BB Make-on-demand

    • BBV-163348

  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)	3.19	7.24	-44.52	2	3	1	35	250.362	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20120851
• 20120853
  

  Analogs

  37984991

  

  Popular Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-pentan-1-amine (2S)-N-(2,3-dihydro-1,4-benzodio…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43202181
    • 28643624

  • Enamine BB Make on Demand

    • BBV-163348

  • UORSY BB Make-on-demand

    • BBV-163348

  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)	3.19	7.24	-44.61	2	3	1	35	250.362	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20120853
• 21047977
  

  Analogs

  37984991

  

  Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-7-methyl-octan-1-amine N-(2,3-dihydro-1,4-benzodioxin-6…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 29293927

  • Enamine BB Make on Demand

    • BBR-039573

  • UORSY BB Make-on-demand

    • BBR-039573

  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)	4.44	9.55	-44.97	2	3	1	35	292.443	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21047977
• 37179538
  

  Analogs

  37984991

  

  Popular Name: N-(cyclobutylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine N-(cyclobutylmethyl)-1-(2,3-dihy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43298291

  • Enamine BB Make on Demand

    • BBV-15816056

  • UORSY BB Make-on-demand

    • BBV-15816056

  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)	2.05	6.48	-44.09	2	3	1	35	234.319	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37179538
• 20876112
  

  Analogs

  37984991

  

  6675787

  

  Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-1-amine N-(2,3-dihydro-1,4-benzodioxin-6…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange (make on demand)

    • F-023025

  • PubChem

    • 29187823
    • 17056628

  • AKOS (make-on-demand)

    • AKOS002623519

  • Enamine BB Make on Demand

    • BBV-1087884

  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)	3.45	7.47	-44.85	2	3	1	35	250.362	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20876112
• 13718356
  

  Analogs

  37984991

  

  Popular Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino]-1-pentanol 5-[(2,3-dihydro-1,4-benzodioxin-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AN-465/43411079

  • Vitas-M

    • STK512317

  • eMolecules

    • 15801590
    • 14304919

  • Molport

    • MolPort-008-310-822

  And 11 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)	1.42	3.41	-47.06	3	4	1	55	252.334	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13718356
• 12382219
  

  Analogs

  32127944

  

  32127952

  

  37984991

  

  Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-butan-1-amine N-(2,3-dihydro-1,4-benzodioxin-6…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK524262

  • eMolecules

    • 20386507
    • 14304915

  • Molport

    • MolPort-005-993-799

  • BioBlocks

    • A4410/0188197

  And 18 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)	2.66	-0.32	-44.01	2	3	1	35	236.335	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12382219