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• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC43261591

• 43261591

Physical Representations

Activity (Go SEA)

• 37098149
  

  Analogs

  38001569

  

  38001570

  

  38001577

  

  38001578

  

  38001603

  

  Popular Name: (1R)-1-(5-bromo-2-thienyl)-N-methyl-N-propyl-ethane-1,2-diamine (1R)-1-(5-bromo-2-thienyl)-N-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43271107

  • Enamine BB Make on Demand

    • BBV-33138951

  • UORSY BB Make-on-demand

    • BBV-33138951

  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)	2.44	4.19	-40.23	3	2	1	31	278.239	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.44	3.26	-2.21	2	2	0	29	277.231	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.44	5.58	-119.53	4	2	2	32	279.247	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37098149
• 37098148
  

  Analogs

  38001569

  

  38001570

  

  38001603

  

  38001604

  

  38001741

  

  Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-methyl-N-propyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-thienyl)-N-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43271107

  • Enamine BB Make on Demand

    • BBV-33138951

  • UORSY BB Make-on-demand

    • BBV-33138951

  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)	2.44	3.5	-45.99	3	2	1	31	278.239	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.44	3.18	-1.48	2	2	0	29	277.231	5	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.44	5.6	-119.75	4	2	2	32	279.247	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37098148
• 37094822
  

  Analogs

  38001569

  

  38001570

  

  38001577

  

  38001578

  

  38001603

  

  Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-ethyl-N-propyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-thienyl)-N-eth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43268644

  • Enamine BB Make on Demand

    • BBV-33138877

  • UORSY BB Make-on-demand

    • BBV-33138877

  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)	2.82	4.26	-46.03	3	2	1	31	292.266	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.82	3.56	-1.77	2	2	0	29	291.258	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.82	6	-126.31	4	2	2	32	293.274	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37094822
• 37094823
  

  Analogs

  38001569

  

  38001570

  

  38001577

  

  38001578

  

  38001603

  

  Popular Name: (1R)-1-(5-bromo-2-thienyl)-N-ethyl-N-propyl-ethane-1,2-diamine (1R)-1-(5-bromo-2-thienyl)-N-eth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43268644

  • Enamine BB Make on Demand

    • BBV-33138877

  • UORSY BB Make-on-demand

    • BBV-33138877

  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)	2.82	4.5	-45.47	3	2	1	31	292.266	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.82	4.14	-1.17	2	2	0	29	291.258	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.82	6.01	-126.48	4	2	2	32	293.274	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37094823
• 19393089
  

  Analogs

  38001569

  

  38001570

  

  38001741

  

  38001742

  

  38001759

  

  Popular Name: (1S)-1-(5-bromo-2-thienyl)-N,N-dipropyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-thienyl)-N,N-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20120100
    • 28153395

  • Enamine BB Make on Demand

    • BBV-33132705

  • UORSY BB Make-on-demand

    • BBV-33132705

  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)	3.32	5.08	-51.09	3	2	1	31	306.293	7	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.32	7.17	-127.49	4	2	2	32	307.301	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19393089
• 19393091
  

  Analogs

  38001569

  

  38001570

  

  38001741

  

  38001742

  

  38001759

  

  Popular Name: (1R)-1-(5-bromo-2-thienyl)-N,N-dipropyl-ethane-1,2-diamine (1R)-1-(5-bromo-2-thienyl)-N,N-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20120100
    • 28153397

  • Enamine BB Make on Demand

    • BBV-33132705

  • UORSY BB Make-on-demand

    • BBV-33132705

  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)	3.32	4.57	-47.87	3	2	1	31	306.293	7	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.32	6.81	-120.12	4	2	2	32	307.301	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19393091
• 37095936
  

  Analogs

  43259234

  

  43259237

  

  43261588

  

  43261591

  

  43262656

  

  Popular Name: (1R)-1-(5-bromo-2-thienyl)-N-isopropyl-N-propyl-ethane-1,2-diamine (1R)-1-(5-bromo-2-thienyl)-N-iso…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43269454

  • Enamine BB Make on Demand

    • BBV-33138895

  • UORSY BB Make-on-demand

    • BBV-33138895

  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)	3.11	4.55	-45.96	3	2	1	31	306.293	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.11	3.7	-1.73	2	2	0	29	305.285	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.11	6.1	-125.57	4	2	2	32	307.301	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37095936
• 37095935
  

  Analogs

  38001569

  

  38001570

  

  38001599

  

  38001600

  

  38001601

  

  Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-isopropyl-N-propyl-ethane-1,2-diamine (1S)-1-(5-bromo-2-thienyl)-N-iso…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43269454

  • Enamine BB Make on Demand

    • BBV-33138895

  • UORSY BB Make-on-demand

    • BBV-33138895

  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)	3.11	4.76	-46.28	3	2	1	31	306.293	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.11	4.6	-1	2	2	0	29	305.285	6	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.11	6.68	-123.17	4	2	2	32	307.301	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37095935
• 19266429
  

  Analogs

  38001597

  

  38001598

  

  38001785

  

  38001786

  

  38001809

  

  Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[(2R)-2-methylmorpholin-4-yl]ethanamine (2S)-2-(5-bromo-2-thienyl)-2-[(2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 20113412
    • 28116104

  • Enamine BB Make on Demand

    • BBV-33132693

  • UORSY BB Make-on-demand

    • BBV-33132693

  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)	1.77	2.14	-52.85	3	3	1	40	306.249	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19266429