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• Synonyms (0)
• Vendors (2)
• Annotations (2)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (7)

ZINC39317235

• 39317235

Physical Representations

Activity (Go SEA)

• 53146623
  

  Analogs

  40260234

  

  40260233

  

  Popular Name: (1R,3R)-1-(3,4-dichlorophenyl)-3-methyl-cyclohexanol (1R,3R)-1-(3,4-dichlorophenyl)-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62537726

  • Enamine BB Make on Demand

    • BBV-34323442

  • UORSY BB Make-on-demand

    • BBV-34323442

  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)	4.54	6.89	-3.55	1	1	0	20	259.176	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53146623
• 53146625
  

  Analogs

  40260234

  

  40260233

  

  Popular Name: (1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-cyclohexanol (1R,3S)-1-(3,4-dichlorophenyl)-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62537726

  • Enamine BB Make on Demand

    • BBV-34323442

  • UORSY BB Make-on-demand

    • BBV-34323442

  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)	4.54	7.1	-3.36	1	1	0	20	259.176	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53146625
• 53146627
  

  Analogs

  40260234

  

  40260233

  

  Popular Name: (1S,3R)-1-(3,4-dichlorophenyl)-3-methyl-cyclohexanol (1S,3R)-1-(3,4-dichlorophenyl)-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62537726

  • Enamine BB Make on Demand

    • BBV-34323442

  • UORSY BB Make-on-demand

    • BBV-34323442

  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)	4.54	7.1	-3.36	1	1	0	20	259.176	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53146627
• 53146630
  

  Analogs

  40260234

  

  40260233

  

  Popular Name: (1S,3S)-1-(3,4-dichlorophenyl)-3-methyl-cyclohexanol (1S,3S)-1-(3,4-dichlorophenyl)-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 62537726

  • Enamine BB Make on Demand

    • BBV-34323442

  • UORSY BB Make-on-demand

    • BBV-34323442

  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)	4.54	6.89	-3.55	1	1	0	20	259.176	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC53146630
• 1715571
  

  Analogs

  34318680

  

  39317234

  

  39317235

  

  39317236

  

  39317237

  

  Popular Name: 1-(3-chlorophenyl)cyclohexanol 1-(3-chlorophenyl)cyclohexanol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • NCI Plated 2007

    • 126993

  • ChemDB

    • 5139222

  • PubChem

    • 277926

  • SureChEMBL

    • SCHEMBL1154800

  • Enamine BB Make on Demand

    • BBV-33505941

  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)	3.90	-0.89	-3.16	1	1	0	20	210.704	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01715571
• 4900488
  

  Analogs

  17355045

  

  39317234

  

  39317235

  

  39317236

  

  39317237

  

  Popular Name: 9-(3-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol 9-(3-chlorophenyl)-1,2,3,4,4a,4b…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • NCI Plated 2007

    • 86557

  • ChemDB

    • 5080113

  • PubChem

    • 257935

  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)	6.16	-0.67	-2.36	1	1	0	20	304.861	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04900488
• 17355045
  

  Analogs

  39317234

  

  39317235

  

  39317236

  

  39317237

  

  4900488

  

  Popular Name: (4aS,4bR,8aS,9aS)-9-(3-chlorophenyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-9-ol (4aS,4bR,8aS,9aS)-9-(3-chlorophe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5080113

  • PubChem

    • 257935

  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)	6.16	9.19	-1.81	1	1	0	20	304.861	1	↓ MOL2 SDF SMILES Flexibase

  More about ZINC17355045