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• Synonyms (0)
• Vendors (1)
• Annotations (1)
• Representations (5)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (12)

ZINC52503276

• 52503276

Physical Representations

Activity (Go SEA)

• 43982038
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2R,3S)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N3-methyl-pentane-2,3-diamine (2R,3S)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61753507

  • Enamine BB Make on Demand

    • BBV-33429088

  • UORSY BB Make-on-demand

    • BBV-33429088

  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)	2.48	5.92	-86.32	3	3	2	24	245.455	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.48	3.95	-34.96	2	3	1	23	244.447	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.48	8.38	-194.37	4	3	3	25	246.463	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982038
• 43982042
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2R,3R)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N3-methyl-pentane-2,3-diamine (2R,3R)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61753507

  • Enamine BB Make on Demand

    • BBV-33429088

  • UORSY BB Make-on-demand

    • BBV-33429088

  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)	2.48	6.76	-84.46	3	3	2	24	245.455	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.48	4.37	-35.62	2	3	1	23	244.447	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.48	8.3	-199.38	4	3	3	25	246.463	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982042
• 43982046
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2S,3S)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N3-methyl-pentane-2,3-diamine (2S,3S)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61753507

  • Enamine BB Make on Demand

    • BBV-33429088

  • UORSY BB Make-on-demand

    • BBV-33429088

  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)	2.48	5.87	-82.71	3	3	2	24	245.455	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.48	4.38	-35.7	2	3	1	23	244.447	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.48	8.23	-192.97	4	3	3	25	246.463	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982046
• 43982050
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2S,3R)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N3-methyl-pentane-2,3-diamine (2S,3R)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61753507

  • Enamine BB Make on Demand

    • BBV-33429088

  • UORSY BB Make-on-demand

    • BBV-33429088

  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)	2.48	7.6	-87.14	3	3	2	24	245.455	9	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.48	2.9	-36.28	2	3	1	23	244.447	9	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.48	8.32	-198.42	4	3	3	25	246.463	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982050
• 43982230
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2R,3S)-N2-(2-dimethylaminoethyl)-N3-ethyl-N2-isobutyl-pentane-2,3-diamine (2R,3S)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61751559

  • Enamine BB Make on Demand

    • BBV-33429105

  • UORSY BB Make-on-demand

    • BBV-33429105

  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)	2.85	6.77	-85.83	3	3	2	24	259.482	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.85	4.79	-33.87	2	3	1	23	258.474	10	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.85	9.22	-195.39	4	3	3	25	260.49	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982230
• 43982234
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2R,3R)-N2-(2-dimethylaminoethyl)-N3-ethyl-N2-isobutyl-pentane-2,3-diamine (2R,3R)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61751559

  • Enamine BB Make on Demand

    • BBV-33429105

  • UORSY BB Make-on-demand

    • BBV-33429105

  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)	2.85	7.78	-83.83	3	3	2	24	259.482	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.85	5.2	-33.89	2	3	1	23	258.474	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982234
• 43982238
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2S,3S)-N2-(2-dimethylaminoethyl)-N3-ethyl-N2-isobutyl-pentane-2,3-diamine (2S,3S)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61751559

  • Enamine BB Make on Demand

    • BBV-33429105

  • UORSY BB Make-on-demand

    • BBV-33429105

  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)	2.85	7.67	-90.15	3	3	2	24	259.482	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.85	5.2	-34	2	3	1	23	258.474	10	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	2.85	9.07	-194.24	4	3	3	25	260.49	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982238
• 43982242
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2S,3R)-N2-(2-dimethylaminoethyl)-N3-ethyl-N2-isobutyl-pentane-2,3-diamine (2S,3R)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61751559

  • Enamine BB Make on Demand

    • BBV-33429105

  • UORSY BB Make-on-demand

    • BBV-33429105

  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)	2.85	6	-83.82	3	3	2	24	259.482	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.85	3.62	-34.16	2	3	1	23	258.474	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982242
• 43982357
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2R,3S)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N3-propyl-pentane-2,3-diamine (2R,3S)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61752147

  • Enamine BB Make on Demand

    • BBV-33429115

  • UORSY BB Make-on-demand

    • BBV-33429115

  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)	3.35	7.35	-86.53	3	3	2	24	273.509	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.35	5.47	-34.49	2	3	1	23	272.501	11	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.35	9.28	-200	4	3	3	25	274.517	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982357
• 43982361
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2R,3R)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N3-propyl-pentane-2,3-diamine (2R,3R)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61752147

  • Enamine BB Make on Demand

    • BBV-33429115

  • UORSY BB Make-on-demand

    • BBV-33429115

  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)	3.35	8.22	-85.34	3	3	2	24	273.509	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.35	5.91	-34.64	2	3	1	23	272.501	11	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.35	9.51	-195.15	4	3	3	25	274.517	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982361
• 43982365
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2S,3S)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N3-propyl-pentane-2,3-diamine (2S,3S)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61752147

  • Enamine BB Make on Demand

    • BBV-33429115

  • UORSY BB Make-on-demand

    • BBV-33429115

  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)	3.35	8.47	-91.02	3	3	2	24	273.509	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.35	6.05	-34.54	2	3	1	23	272.501	11	↓ MOL2 SDF SMILES Flexibase
  Lo Low (pH 4.5-6)	3.35	9.07	-192.92	4	3	3	25	274.517	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982365
• 43982369
  

  Analogs

  52417894

  

  52417895

  

  52418693

  

  52418694

  

  52503275

  

  Popular Name: (2S,3R)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N3-propyl-pentane-2,3-diamine (2S,3R)-N2-(2-dimethylaminoethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61752147

  • Enamine BB Make on Demand

    • BBV-33429115

  • UORSY BB Make-on-demand

    • BBV-33429115

  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)	3.35	6.77	-84.98	3	3	2	24	273.509	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.35	4.25	-34.99	2	3	1	23	272.501	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43982369