User Information

• Synonyms (6)
• Vendors (15)
• Annotations (3)
• Representations (1)
• Notes (4)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (21)

ZINC19735773

• 19735773

Physical Representations

Vendor Notes

Activity (Go SEA)

• 36788663
  

  Analogs

  22176732

  

  Popular Name: (1R)-N-(1-ethylpropyl)-1-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine (1R)-N-(1-ethylpropyl)-1-(3-fluo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43570782

  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)	2.61	6.91	-120.66	4	2	2	32	240.366	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.61	4.67	-46.86	3	2	1	31	239.358	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.61	6.64	-33.89	3	2	1	30	239.358	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36788663
• 36788664
  

  Analogs

  22176732

  

  Popular Name: (1S)-N-(1-ethylpropyl)-1-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine (1S)-N-(1-ethylpropyl)-1-(3-fluo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43570782

  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)	2.61	6.11	-124.25	4	2	2	32	240.366	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.61	5.21	-44.55	3	2	1	31	239.358	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.61	7.26	-30.62	3	2	1	30	239.358	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36788664
• 37078414
  

  Analogs

  19735772

  

  Popular Name: (1R)-N-ethyl-1-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine (1R)-N-ethyl-1-(3-fluorophenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43263185

  • Enamine BB Make on Demand

    • BBV-14866627

  • UORSY BB Make-on-demand

    • BBV-14866627

  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)	1.24	3.11	-43.51	3	2	1	31	197.277	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.24	5.08	-118.72	4	2	2	32	198.285	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37078414
• 37078415
  

  Analogs

  19735772

  

  Popular Name: (1S)-N-ethyl-1-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine (1S)-N-ethyl-1-(3-fluorophenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43263185

  • Enamine BB Make on Demand

    • BBV-14866627

  • UORSY BB Make-on-demand

    • BBV-14866627

  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)	1.24	3.1	-43.29	3	2	1	31	197.277	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.24	5.08	-118.63	4	2	2	32	198.285	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37078415
• 37079610
  

  Analogs

  22176732

  

  Popular Name: (1R)-N-cyclopropyl-N-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-ethyl-1-(3-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43263987

  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)	1.61	5.98	-124.68	4	2	2	32	224.323	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.61	3.88	-46.53	3	2	1	31	223.315	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.61	5.58	-30.94	3	2	1	30	223.315	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37079610
• 37080696
  

  Analogs

  22176732

  

  Popular Name: (1R)-N-cyclopropyl-1-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine (1R)-N-cyclopropyl-1-(3-fluoroph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43264755

  • Enamine BB Make on Demand

    • BBV-14868274

  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)	1.23	3.87	-42.81	3	2	1	31	209.288	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.23	5.78	-115.61	4	2	2	32	210.296	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37080696
• 37080697
  

  Analogs

  22176732

  

  Popular Name: (1S)-N-cyclopropyl-1-(3-fluorophenyl)-N-methyl-ethane-1,2-diamine (1S)-N-cyclopropyl-1-(3-fluoroph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43264755

  • Enamine BB Make on Demand

    • BBV-14868274

  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)	1.23	3.74	-44.57	3	2	1	31	209.288	4	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.23	5.52	-128.33	4	2	2	32	210.296	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37080697
• 37081835
  

  Analogs

  19735772

  

  Popular Name: (1R)-N-ethyl-1-(3-fluorophenyl)-N-isopropyl-ethane-1,2-diamine (1R)-N-ethyl-1-(3-fluorophenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43265552

  • Enamine BB Make on Demand

    • BBV-14869095

  • UORSY BB Make-on-demand

    • BBV-14869095

  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)	1.92	6.09	-123.08	4	2	2	32	226.339	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.92	4.49	-47.03	3	2	1	31	225.331	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.92	5.86	-31.11	3	2	1	30	225.331	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37081835
• 37081836
  

  Analogs

  19735772

  

  Popular Name: (1S)-N-ethyl-1-(3-fluorophenyl)-N-isopropyl-ethane-1,2-diamine (1S)-N-ethyl-1-(3-fluorophenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43265552

  • Enamine BB Make on Demand

    • BBV-14869095

  • UORSY BB Make-on-demand

    • BBV-14869095

  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)	1.92	5.75	-122.21	4	2	2	32	226.339	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.92	4.59	-46.62	3	2	1	31	225.331	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.92	5.89	-30.68	3	2	1	30	225.331	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37081836
• 37094651
  

  Analogs

  45666137

  

  45666139

  

  22165276

  

  Popular Name: (1R)-1-(3,4-difluorophenyl)-N-ethyl-N-propyl-ethane-1,2-diamine (1R)-1-(3,4-difluorophenyl)-N-et…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43268547

  • Enamine BB Make on Demand

    • BBV-14872322

  • UORSY BB Make-on-demand

    • BBV-14872322

  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)	2.24	3.88	-51.36	3	2	1	31	243.321	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.24	6.11	-136.74	4	2	2	32	244.329	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37094651
• 37095784
  

  Analogs

  45666137

  

  45666139

  

  22165276

  

  Popular Name: (1S)-1-(3,4-difluorophenyl)-N-isopropyl-N-propyl-ethane-1,2-diamine (1S)-1-(3,4-difluorophenyl)-N-is…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43269367

  • UORSY BB Make-on-demand

    • BBV-14873163

  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	6.22	-136.8	4	2	2	32	258.356	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.54	5.07	-50.43	3	2	1	31	257.348	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.54	7.07	-35.73	3	2	1	30	257.348	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37095784
• 37096914
  

  Analogs

  22176732

  

  Popular Name: (1R)-N-cyclopropyl-1-(3-fluorophenyl)-N-propyl-ethane-1,2-diamine (1R)-N-cyclopropyl-1-(3-fluoroph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43270177

  • UORSY BB Make-on-demand

    • BBV-14873992

  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)	2.11	7.35	-120.19	4	2	2	32	238.35	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.11	4.88	-48.97	3	2	1	31	237.342	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.11	7.27	-31.23	3	2	1	30	237.342	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37096914
• 37096915
  

  Analogs

  22176732

  

  Popular Name: (1S)-N-cyclopropyl-1-(3-fluorophenyl)-N-propyl-ethane-1,2-diamine (1S)-N-cyclopropyl-1-(3-fluoroph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43270177

  • UORSY BB Make-on-demand

    • BBV-14873992

  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)	2.11	7.34	-119.82	4	2	2	32	238.35	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.11	4.91	-49.04	3	2	1	31	237.342	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.11	6.99	-29.63	3	2	1	30	237.342	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37096915
• 37098024
  

  Analogs

  45666137

  

  45666139

  

  22165276

  

  Popular Name: (1S)-1-(3,4-difluorophenyl)-N-methyl-N-propyl-ethane-1,2-diamine (1S)-1-(3,4-difluorophenyl)-N-me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43271010

  • Enamine BB Make on Demand

    • BBV-14874846

  • UORSY BB Make-on-demand

    • BBV-14874846

  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)	1.86	3.63	-53.4	3	2	1	31	229.294	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.86	5.9	-129.29	4	2	2	32	230.302	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37098024
• 37108199
  

  Analogs

  43390261

  

  43390263

  

  43390268

  

  43390270

  

  43415889

  

  Popular Name: (1R)-1-(3-fluorophenyl)-N-isobutyl-N-methyl-ethane-1,2-diamine (1R)-1-(3-fluorophenyl)-N-isobut…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43271916

  • Enamine BB Make on Demand

    • BBV-14875789

  • UORSY BB Make-on-demand

    • BBV-14875789

  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	4.83	-44.05	3	2	1	31	225.331	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.99	5.91	-130.13	4	2	2	32	226.339	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37108199
• 37109724
  

  Analogs

  22176732

  

  Popular Name: (1R)-1-(3-fluorophenyl)-N-methyl-N-[(1R)-1-methylpropyl]ethane-1,2-diamine (1R)-1-(3-fluorophenyl)-N-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43272731

  • Enamine BB Make on Demand

    • BBV-14876633

  • UORSY BB Make-on-demand

    • BBV-14876633

  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)	2.08	4	-45.74	3	2	1	31	225.331	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.08	5.19	-130.14	4	2	2	32	226.339	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37109724
• 37109725
  

  Analogs

  22176732

  

  Popular Name: (1R)-1-(3-fluorophenyl)-N-methyl-N-[(1S)-1-methylpropyl]ethane-1,2-diamine (1R)-1-(3-fluorophenyl)-N-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43272731

  • Enamine BB Make on Demand

    • BBV-14876633

  • UORSY BB Make-on-demand

    • BBV-14876633

  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)	2.08	4.7	-44.93	3	2	1	31	225.331	5	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.08	5.54	-129.65	4	2	2	32	226.339	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37109725
• 37111154
  

  Analogs

  43390261

  

  43390263

  

  43390268

  

  43390270

  

  43415889

  

  Popular Name: (1S)-N-ethyl-1-(3-fluorophenyl)-N-isobutyl-ethane-1,2-diamine (1S)-N-ethyl-1-(3-fluorophenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43273482

  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)	2.37	6.09	-131.52	4	2	2	32	240.366	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.37	5.37	-45.58	3	2	1	31	239.358	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37111154
• 37112608
  

  Analogs

  22176732

  

  Popular Name: (1R)-N-ethyl-1-(3-fluorophenyl)-N-[(1R)-1-methylpropyl]ethane-1,2-diamine (1R)-N-ethyl-1-(3-fluorophenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43274305

  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)	2.45	6.85	-119.11	4	2	2	32	240.366	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.45	5.28	-46.39	3	2	1	31	239.358	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.45	6.41	-29.73	3	2	1	30	239.358	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37112608
• 43390182
  

  Analogs

  43390184

  

  20226006

  

  20226007

  

  Popular Name: (1R)-1-(4-chloro-3-fluoro-phenyl)-N,N-dimethyl-ethane-1,2-diamine (1R)-1-(4-chloro-3-fluoro-phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-012-471-007

  • Molport BB

    • MolPort-012-471-007

  • Innovapharm BB Make on Demand

    • BBV-00081100

  • PubChem

    • 61652824

  • Enamine BB Make on Demand

    • BBV-33316198

  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)	1.50	2.65	-47.92	3	2	1	31	217.695	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.50	4.9	-125.72	4	2	2	32	218.703	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43390182
• 43390184
  

  Analogs

  20226006

  

  20226007

  

  Popular Name: (1S)-1-(4-chloro-3-fluoro-phenyl)-N,N-dimethyl-ethane-1,2-diamine (1S)-1-(4-chloro-3-fluoro-phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-012-471-007

  • Molport BB

    • MolPort-012-471-007

  • Innovapharm BB Make on Demand

    • BBV-00081100

  • PubChem

    • 61652824

  • Enamine BB Make on Demand

    • BBV-33316198

  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)	1.50	2.72	-48.5	3	2	1	31	217.695	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.50	4.92	-125.64	4	2	2	32	218.703	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43390184