User Information

• Synonyms (0)
• Vendors (1)
• Annotations (1)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (3)
• Analogs (47)

ZINC53651954

• 53651954

Physical Representations

Activity (Go SEA)

• 43969629
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cycloheptane-1,2-diamine (1R,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33427681

  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	6.7	-99.54	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.37	4.6	-31.9	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.37	3.73	-1.13	1	3	0	24	240.391	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969629
• 43969631
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cycloheptane-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33427681

  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	6.99	-98.57	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.37	5.26	-29.3	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.37	4.67	-1.23	1	3	0	24	240.391	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969631
• 43969633
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cycloheptane-1,2-diamine (1R,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33427681

  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	6.89	-102.24	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.37	5.23	-31.62	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.37	4.14	-1.28	1	3	0	24	240.391	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969633
• 43969635
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cycloheptane-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33427681

  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	7.11	-101.78	3	3	2	30	242.407	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.37	5.22	-30.16	2	3	1	29	241.399	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.37	4.54	-1.04	1	3	0	24	240.391	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969635
• 43969651
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cyclooctane-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33427684

  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)	2.88	7.46	-99.19	3	3	2	30	256.434	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.88	5.72	-29.2	2	3	1	29	255.426	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.88	5.49	-0.9	1	3	0	24	254.418	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969651
• 43969653
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cyclooctane-1,2-diamine (1R,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33427684

  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)	2.88	7.87	-98.98	3	3	2	30	256.434	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.88	5.69	-31.48	2	3	1	29	255.426	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.88	4.42	-1.46	1	3	0	24	254.418	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969653
• 43969655
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cyclooctane-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • UORSY BB Make-on-demand

    • BBV-33427684

  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)	2.88	7.19	-100.11	3	3	2	30	256.434	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.88	3.8	-1.19	1	3	0	24	254.418	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.88	5.41	-29.5	2	3	1	29	255.426	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969655
• 43969765
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3R,4S)-N3-cyclopropyl-N3-(2-methoxyethyl)-N4-methyl-heptane-3,4-diamine (3R,4S)-N3-cyclopropyl-N3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758373

  • Enamine BB Make on Demand

    • BBV-33427705

  • UORSY BB Make-on-demand

    • BBV-33427705

  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)	2.77	6.78	-102.11	3	3	2	30	244.423	10	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.77	5.66	-27.28	2	3	1	26	243.415	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969765
• 43969767
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3R,4R)-N3-cyclopropyl-N3-(2-methoxyethyl)-N4-methyl-heptane-3,4-diamine (3R,4R)-N3-cyclopropyl-N3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758373

  • Enamine BB Make on Demand

    • BBV-33427705

  • UORSY BB Make-on-demand

    • BBV-33427705

  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)	2.77	6.67	-102.94	3	3	2	30	244.423	10	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.77	5.56	-27.81	2	3	1	26	243.415	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969767
• 43969769
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3S,4S)-N3-cyclopropyl-N3-(2-methoxyethyl)-N4-methyl-heptane-3,4-diamine (3S,4S)-N3-cyclopropyl-N3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758373

  • Enamine BB Make on Demand

    • BBV-33427705

  • UORSY BB Make-on-demand

    • BBV-33427705

  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)	2.77	6.95	-107.55	3	3	2	30	244.423	10	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.77	6.82	-26.13	2	3	1	26	243.415	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969769
• 43969771
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3S,4R)-N3-cyclopropyl-N3-(2-methoxyethyl)-N4-methyl-heptane-3,4-diamine (3S,4R)-N3-cyclopropyl-N3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758373

  • Enamine BB Make on Demand

    • BBV-33427705

  • UORSY BB Make-on-demand

    • BBV-33427705

  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)	2.77	6.78	-107.47	3	3	2	30	244.423	10	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.77	5.64	-28.48	2	3	1	26	243.415	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969771
• 43969773
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1R,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cyclohexane-1,2-diamine (1R,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-33427706

  • UORSY BB Make-on-demand

    • BBV-33427706

  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)	1.87	6.53	-100.17	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	4.67	-30.68	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	3.87	-0.8	1	3	0	24	226.364	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969773
• 43969775
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1S,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cyclohexane-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-33427706

  • UORSY BB Make-on-demand

    • BBV-33427706

  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)	1.87	5.96	-99.4	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	4.21	-31.97	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	4.53	-0.58	1	3	0	24	226.364	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969775
• 43969777
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1R,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cyclohexane-1,2-diamine (1R,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-33427706

  • UORSY BB Make-on-demand

    • BBV-33427706

  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)	1.87	6.5	-98.92	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	3.45	-0.76	1	3	0	24	226.364	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	4.64	-35.81	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969777
• 43969779
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1S,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cyclohexane-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-33427706

  • UORSY BB Make-on-demand

    • BBV-33427706

  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)	1.87	6.26	-98.91	3	3	2	30	228.38	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	2.78	-1.89	1	3	0	24	226.364	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.86	4.35	-29.15	2	3	1	29	227.372	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969779
• 43969892
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2S)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cycloheptane-1,2-diamine (1R,2S)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759736

  • Enamine BB Make on Demand

    • BBV-33427726

  • UORSY BB Make-on-demand

    • BBV-33427726

  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)	2.75	5.44	-30.75	2	3	1	29	255.426	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.75	4.63	-0.97	1	3	0	24	254.418	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.75	6.22	-28.04	2	3	1	26	255.426	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969892
• 43969894
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2S)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cycloheptane-1,2-diamine (1S,2S)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759736

  • Enamine BB Make on Demand

    • BBV-33427726

  • UORSY BB Make-on-demand

    • BBV-33427726

  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)	2.75	6.07	-26.75	2	3	1	29	255.426	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.75	4.96	-0.41	1	3	0	24	254.418	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.75	7.22	-25.35	2	3	1	26	255.426	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969894
• 43969896
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2R)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cycloheptane-1,2-diamine (1R,2R)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759736

  • Enamine BB Make on Demand

    • BBV-33427726

  • UORSY BB Make-on-demand

    • BBV-33427726

  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)	2.75	6.06	-30.29	2	3	1	29	255.426	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.75	5.05	-1.18	1	3	0	24	254.418	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.75	7.09	-26.71	2	3	1	26	255.426	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969896
• 43969898
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2R)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cycloheptane-1,2-diamine (1S,2R)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759736

  • Enamine BB Make on Demand

    • BBV-33427726

  • UORSY BB Make-on-demand

    • BBV-33427726

  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)	2.75	6	-27.78	2	3	1	29	255.426	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.75	4.6	-0.73	1	3	0	24	254.418	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.75	6.71	-25.34	2	3	1	26	255.426	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969898
• 43969912
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2S)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cyclooctane-1,2-diamine (1R,2S)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759930

  • Enamine BB Make on Demand

    • BBV-33427729

  • UORSY BB Make-on-demand

    • BBV-33427729

  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)	3.25	5.94	-30.27	2	3	1	29	269.453	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	4.92	-1.57	1	3	0	24	268.445	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	7.09	-29.31	2	3	1	26	269.453	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969912
• 43969914
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2S)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cyclooctane-1,2-diamine (1S,2S)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759930

  • Enamine BB Make on Demand

    • BBV-33427729

  • UORSY BB Make-on-demand

    • BBV-33427729

  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)	3.25	6.75	-26.53	2	3	1	29	269.453	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	6.19	-0	1	3	0	24	268.445	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	7.93	-25.83	2	3	1	26	269.453	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969914
• 43969916
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2R)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cyclooctane-1,2-diamine (1R,2R)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759930

  • Enamine BB Make on Demand

    • BBV-33427729

  • UORSY BB Make-on-demand

    • BBV-33427729

  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)	3.25	6.92	-33.37	2	3	1	29	269.453	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	6.36	-0.09	1	3	0	24	268.445	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	8.09	-26.12	2	3	1	26	269.453	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969916
• 43969918
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2R)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cyclooctane-1,2-diamine (1S,2R)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759930

  • Enamine BB Make on Demand

    • BBV-33427729

  • UORSY BB Make-on-demand

    • BBV-33427729

  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)	3.25	6.25	-28.42	2	3	1	29	269.453	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	4.7	-0.94	1	3	0	24	268.445	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	8.16	-25.18	2	3	1	26	269.453	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969918
• 43969988
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3R,4S)-N3-cyclopropyl-N4-ethyl-N3-(2-methoxyethyl)heptane-3,4-diamine (3R,4S)-N3-cyclopropyl-N4-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61757602

  • Enamine BB Make on Demand

    • BBV-33427742

  • UORSY BB Make-on-demand

    • BBV-33427742

  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)	3.14	7.64	-102.14	3	3	2	30	258.45	11	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.14	6.59	-27.88	2	3	1	26	257.442	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969988
• 43969990
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3R,4R)-N3-cyclopropyl-N4-ethyl-N3-(2-methoxyethyl)heptane-3,4-diamine (3R,4R)-N3-cyclopropyl-N4-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61757602

  • Enamine BB Make on Demand

    • BBV-33427742

  • UORSY BB Make-on-demand

    • BBV-33427742

  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)	3.14	7.54	-103.02	3	3	2	30	258.45	11	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.14	7.8	-24.95	2	3	1	26	257.442	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969990
• 43969992
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3S,4S)-N3-cyclopropyl-N4-ethyl-N3-(2-methoxyethyl)heptane-3,4-diamine (3S,4S)-N3-cyclopropyl-N4-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61757602

  • Enamine BB Make on Demand

    • BBV-33427742

  • UORSY BB Make-on-demand

    • BBV-33427742

  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)	3.14	7.76	-106.34	3	3	2	30	258.45	11	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.14	7.71	-28.23	2	3	1	26	257.442	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969992
• 43969994
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3S,4R)-N3-cyclopropyl-N4-ethyl-N3-(2-methoxyethyl)heptane-3,4-diamine (3S,4R)-N3-cyclopropyl-N4-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61757602

  • Enamine BB Make on Demand

    • BBV-33427742

  • UORSY BB Make-on-demand

    • BBV-33427742

  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)	3.14	7.61	-106.69	3	3	2	30	258.45	11	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.14	6.85	-27.66	2	3	1	26	257.442	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969994
• 43969996
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1R,2S)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cyclohexane-1,2-diamine (1R,2S)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61757603

  • Enamine BB Make on Demand

    • BBV-33427743

  • UORSY BB Make-on-demand

    • BBV-33427743

  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	5.21	-28.47	2	3	1	29	241.399	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.24	4.12	-1.26	1	3	0	24	240.391	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.24	6.31	-28.78	2	3	1	26	241.399	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969996
• 43969998
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1S,2S)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cyclohexane-1,2-diamine (1S,2S)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61757603

  • Enamine BB Make on Demand

    • BBV-33427743

  • UORSY BB Make-on-demand

    • BBV-33427743

  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	4.79	-29.28	2	3	1	29	241.399	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.24	3.22	-1.89	1	3	0	24	240.391	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.24	5.75	-25.51	2	3	1	26	241.399	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43969998
• 43970000
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1R,2R)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cyclohexane-1,2-diamine (1R,2R)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61757603

  • Enamine BB Make on Demand

    • BBV-33427743

  • UORSY BB Make-on-demand

    • BBV-33427743

  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	5.47	-34.45	2	3	1	29	241.399	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.24	4.39	-0.6	1	3	0	24	240.391	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.24	5.79	-27.07	2	3	1	26	241.399	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970000
• 43970002
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1S,2R)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cyclohexane-1,2-diamine (1S,2R)-N2-cyclopropyl-N1-ethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61757603

  • Enamine BB Make on Demand

    • BBV-33427743

  • UORSY BB Make-on-demand

    • BBV-33427743

  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	5.18	-28.03	2	3	1	29	241.399	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.24	3.7	-1.69	1	3	0	24	240.391	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.24	7.13	-24.82	2	3	1	26	241.399	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970002
• 43970096
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cycloheptane-1,2-diamine (1R,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758765

  • Enamine BB Make on Demand

    • BBV-33427759

  • UORSY BB Make-on-demand

    • BBV-33427759

  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)	3.25	6.21	-31.17	2	3	1	29	269.453	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	5.4	-0.83	1	3	0	24	268.445	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	6.97	-28.23	2	3	1	26	269.453	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970096
• 43970098
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cycloheptane-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758765

  • Enamine BB Make on Demand

    • BBV-33427759

  • UORSY BB Make-on-demand

    • BBV-33427759

  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)	3.25	6.87	-28.44	2	3	1	29	269.453	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	6.2	-0.86	1	3	0	24	268.445	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	8.21	-25.69	2	3	1	26	269.453	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970098
• 43970100
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cycloheptane-1,2-diamine (1R,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758765

  • Enamine BB Make on Demand

    • BBV-33427759

  • UORSY BB Make-on-demand

    • BBV-33427759

  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)	3.25	6.81	-30.85	2	3	1	29	269.453	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	5.82	-1.05	1	3	0	24	268.445	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	7.85	-27.09	2	3	1	26	269.453	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970100
• 43970102
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cycloheptane-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758765

  • Enamine BB Make on Demand

    • BBV-33427759

  • UORSY BB Make-on-demand

    • BBV-33427759

  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)	3.25	6.82	-29.21	2	3	1	29	269.453	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	6.16	-0.73	1	3	0	24	268.445	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.25	7.9	-26.27	2	3	1	26	269.453	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970102
• 43970112
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cyclooctane-1,2-diamine (1R,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758767

  • Enamine BB Make on Demand

    • BBV-33427761

  • UORSY BB Make-on-demand

    • BBV-33427761

  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)	3.75	6.6	-30.48	2	3	1	29	283.48	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.75	5.77	-0.35	1	3	0	24	282.472	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.75	7.94	-30.12	2	3	1	26	283.48	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970112
• 43970114
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cyclooctane-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758767

  • Enamine BB Make on Demand

    • BBV-33427761

  • UORSY BB Make-on-demand

    • BBV-33427761

  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)	3.75	7.3	-28.31	2	3	1	29	283.48	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.75	6.93	-0.64	1	3	0	24	282.472	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.75	8.94	-25.76	2	3	1	26	283.48	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970114
• 43970116
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1R,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cyclooctane-1,2-diamine (1R,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758767

  • Enamine BB Make on Demand

    • BBV-33427761

  • UORSY BB Make-on-demand

    • BBV-33427761

  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)	3.75	7.73	-29.36	2	3	1	29	283.48	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.75	7.2	-0.15	1	3	0	24	282.472	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.75	8.41	-26.51	2	3	1	26	283.48	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970116
• 43970118
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (1S,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cyclooctane-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61758767

  • Enamine BB Make on Demand

    • BBV-33427761

  • UORSY BB Make-on-demand

    • BBV-33427761

  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)	3.75	6.95	-31.32	2	3	1	29	283.48	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.75	6.8	-0.98	1	3	0	24	282.472	8	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.75	8.22	-26.52	2	3	1	26	283.48	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970118
• 43970152
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3R,4S)-N3-cyclopropyl-N3-(2-methoxyethyl)-N4-propyl-heptane-3,4-diamine (3R,4S)-N3-cyclopropyl-N3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759156

  • Enamine BB Make on Demand

    • BBV-33427767

  • UORSY BB Make-on-demand

    • BBV-33427767

  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)	3.65	8.4	-104.06	3	3	2	30	272.477	12	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.65	7.35	-27.96	2	3	1	26	271.469	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970152
• 43970154
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3R,4R)-N3-cyclopropyl-N3-(2-methoxyethyl)-N4-propyl-heptane-3,4-diamine (3R,4R)-N3-cyclopropyl-N3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759156

  • Enamine BB Make on Demand

    • BBV-33427767

  • UORSY BB Make-on-demand

    • BBV-33427767

  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)	3.65	8.15	-105.42	3	3	2	30	272.477	12	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.65	8.56	-25.33	2	3	1	26	271.469	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970154
• 43970156
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3S,4S)-N3-cyclopropyl-N3-(2-methoxyethyl)-N4-propyl-heptane-3,4-diamine (3S,4S)-N3-cyclopropyl-N3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759156

  • Enamine BB Make on Demand

    • BBV-33427767

  • UORSY BB Make-on-demand

    • BBV-33427767

  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)	3.65	8.53	-95.96	3	3	2	30	272.477	12	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.65	8.47	-28.34	2	3	1	26	271.469	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970156
• 43970158
  

  Analogs

  53651954

  

  53651956

  

  Popular Name: (3S,4R)-N3-cyclopropyl-N3-(2-methoxyethyl)-N4-propyl-heptane-3,4-diamine (3S,4R)-N3-cyclopropyl-N3-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759156

  • Enamine BB Make on Demand

    • BBV-33427767

  • UORSY BB Make-on-demand

    • BBV-33427767

  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)	3.65	8.56	-102.04	3	3	2	30	272.477	12	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.65	7.62	-27.79	2	3	1	26	271.469	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970158
• 43970160
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1R,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cyclohexane-1,2-diamine (1R,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759349

  • Enamine BB Make on Demand

    • BBV-33427768

  • UORSY BB Make-on-demand

    • BBV-33427768

  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)	2.74	6.26	-29.58	2	3	1	29	255.426	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.74	5.54	-0.53	1	3	0	24	254.418	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.74	7.3	-28.81	2	3	1	26	255.426	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970160
• 43970162
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1S,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cyclohexane-1,2-diamine (1S,2S)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759349

  • Enamine BB Make on Demand

    • BBV-33427768

  • UORSY BB Make-on-demand

    • BBV-33427768

  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)	2.74	5.82	-31.22	2	3	1	29	255.426	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.74	6.11	-0.25	1	3	0	24	254.418	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.74	8.61	-25.06	2	3	1	26	255.426	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970162
• 43970164
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1R,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cyclohexane-1,2-diamine (1R,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759349

  • Enamine BB Make on Demand

    • BBV-33427768

  • UORSY BB Make-on-demand

    • BBV-33427768

  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)	2.74	6.24	-35.11	2	3	1	29	255.426	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.74	5.14	-0.54	1	3	0	24	254.418	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.74	6.55	-27.31	2	3	1	26	255.426	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970164
• 43970166
  

  Analogs

  53650691

  

  53650692

  

  53651144

  

  53651146

  

  53651535

  

  Popular Name: (1S,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cyclohexane-1,2-diamine (1S,2R)-N2-cyclopropyl-N2-(2-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61759349

  • Enamine BB Make on Demand

    • BBV-33427768

  • UORSY BB Make-on-demand

    • BBV-33427768

  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)	2.74	6.33	-29.43	2	3	1	29	255.426	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.74	6.06	-0.96	1	3	0	24	254.418	8	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.74	7.15	-25.46	2	3	1	26	255.426	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC43970166