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

ZINC06070082

• 6070082

Physical Representations

Activity (Go SEA)

• 32100836
  

  Analogs

  1718669

  

  2983787

  

  Popular Name: (3R)-1-(4-chloro-3,5-dimethyl-phenoxy)pentan-3-ol (3R)-1-(4-chloro-3,5-dimethyl-ph…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39347259

  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)	3.93	5.61	-5.69	1	2	0	29	242.746	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32100836
• 32100849
  

  Analogs

  2904775

  

  Popular Name: (3S)-1-(4-chloro-3-methyl-phenoxy)-4-methyl-pentan-3-ol (3S)-1-(4-chloro-3-methyl-phenox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39347274

  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)	3.80	5.69	-4.66	1	2	0	29	242.746	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32100849
• 32100852
  

  Analogs

  2904775

  

  Popular Name: (3R)-1-(4-chloro-3-methyl-phenoxy)-4-methyl-pentan-3-ol (3R)-1-(4-chloro-3-methyl-phenox…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39347277

  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)	3.80	5.57	-4.8	1	2	0	29	242.746	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32100852
• 36988087
  

  Analogs

  5540544

  

  Popular Name: (2S)-2-[(4-chloro-3,5-dimethyl-phenoxy)methyl]oxirane (2S)-2-[(4-chloro-3,5-dimethyl-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport BB

    • MolPort-008-428-419

  • Innovapharm BB Make on Demand

    • BBV-00065265

  • PubChem

    • 43175697

  • Enamine BB Make on Demand

    • BBV-7346872

  • UORSY BB Make-on-demand

    • BBV-7346872

  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)	3.26	4.83	-6.14	0	2	0	22	212.676	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36988087
• 36988088
  

  Analogs

  5540544

  

  Popular Name: (2R)-2-[(4-chloro-3,5-dimethyl-phenoxy)methyl]oxirane (2R)-2-[(4-chloro-3,5-dimethyl-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport BB

    • MolPort-008-428-419

  • Innovapharm BB Make on Demand

    • BBV-00065265

  • PubChem

    • 43175697

  • Enamine BB Make on Demand

    • BBV-7346872

  • UORSY BB Make-on-demand

    • BBV-7346872

  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)	3.26	4.83	-6.14	0	2	0	22	212.676	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36988088
• 37117008
  

  Analogs

  4702052

  

  Popular Name: 2-chloro-5-(3-chloropropoxy)-1,3-dimethyl-benzene 2-chloro-5-(3-chloropropoxy)-1,3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43369938

  • UORSY BB Make-on-demand

    • BBV-27033016

  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)	4.30	7.81	-4.34	0	1	0	9	233.138	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37117008