User Information

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

ZINC45628980

• 45628980

Physical Representations

Activity (Go SEA)

• 47556104
  

  Analogs

  37987569

  

  37987570

  

  Popular Name: (1R)-N-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]cyclohex-3-ene-1-carboxamide (1R)-N-[(4-hydroxy-3,5-dimethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47216045

  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)	3.15	5.41	-7.32	2	3	0	49	259.349	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC47556104
• 47556105
  

  Analogs

  37987569

  

  37987570

  

  Popular Name: (1S)-N-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]cyclohex-3-ene-1-carboxamide (1S)-N-[(4-hydroxy-3,5-dimethyl-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 47216045

  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)	3.15	5.41	-7.34	2	3	0	49	259.349	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC47556105
• 45628859
  

  Analogs

  45628980

  

  45628981

  

  45628858

  

  Popular Name: 4-[[[(1S)-cyclohex-3-en-1-yl]methylamino]methyl]benzene-1,3-diol 4-[[[(1S)-cyclohex-3-en-1-yl]met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61949368

  • Enamine BB Make on Demand

    • BBV-33656800

  • UORSY BB Make-on-demand

    • BBV-33656800

  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)	2.73	2.85	-44.12	4	3	1	57	234.319	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45628859
• 45628858
  

  Analogs

  45628859

  

  45628980

  

  45628981

  

  Popular Name: 4-[[[(1R)-cyclohex-3-en-1-yl]methylamino]methyl]benzene-1,3-diol 4-[[[(1R)-cyclohex-3-en-1-yl]met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61949368

  • Enamine BB Make on Demand

    • BBV-33656800

  • UORSY BB Make-on-demand

    • BBV-33656800

  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)	2.73	2.86	-44.26	4	3	1	57	234.319	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45628858
• 6006451
  

  Analogs

  45628671

  

  45628672

  

  45628673

  

  45628674

  

  45628980

  

  Popular Name: N-(1-cyclohex-3-enylmethyl)-1-(4-methoxyphenyl)-methanamine N-(1-cyclohex-3-enylmethyl)-1-(4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 1531955
    • 6914778
    • 40577324
    • 17053123

  • AKOS (make-on-demand)

    • AKOS003333052

  And 3 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)	3.35	0.23	-45.13	2	2	1	25	232.347	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06006451
• 6006456
  

  Analogs

  45628671

  

  45628672

  

  45628673

  

  45628674

  

  45628980

  

  Popular Name: N-(1-cyclohex-3-enylmethyl)-1-(4-methoxyphenyl)-methanamine N-(1-cyclohex-3-enylmethyl)-1-(4…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 1531954
    • 6914778
    • 40577325
    • 17053123

  • AKOS (make-on-demand)

    • AKOS003333052

  And 3 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)	3.35	0.23	-45.09	2	2	1	25	232.347	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06006456
• 45628688
  

  Analogs

  45628689

  

  45628934

  

  45628935

  

  45628936

  

  45628937

  

  Popular Name: 2-[[[(1R)-cyclohex-3-en-1-yl]methylamino]methyl]phenol 2-[[[(1R)-cyclohex-3-en-1-yl]met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61948582

  • Enamine BB Make on Demand

    • BBV-33656736

  • UORSY BB Make-on-demand

    • BBV-33656736

  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)	3.24	5.77	-42.68	3	2	1	37	218.32	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45628688
• 45628689
  

  Analogs

  45628934

  

  45628935

  

  45628936

  

  45628937

  

  45628980

  

  Popular Name: 2-[[[(1S)-cyclohex-3-en-1-yl]methylamino]methyl]phenol 2-[[[(1S)-cyclohex-3-en-1-yl]met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61948582

  • Enamine BB Make on Demand

    • BBV-33656736

  • UORSY BB Make-on-demand

    • BBV-33656736

  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)	3.24	5.77	-42.74	3	2	1	37	218.32	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC45628689
• 37179378
  

  Analogs

  37985008

  

  45628980

  

  45628981

  

  Popular Name: 4-[(cyclobutylmethylamino)methyl]-2,6-dimethyl-phenol 4-[(cyclobutylmethylamino)methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43298244

  • Enamine BB Make on Demand

    • BBV-15816009

  • UORSY BB Make-on-demand

    • BBV-15816009

  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)	3.07	5.96	-42.22	3	2	1	37	220.336	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37179378