User Information

• Synonyms (2)
• Vendors (9)
• Annotations (3)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (10)

ZINC04671416

• 4671416

Physical Representations

Activity (Go SEA)

• 39374787
  

  Analogs

  4692218

  

  Popular Name: (2R)-2-hydroxy-2-phenyl-2-(p-tolyl)acetaldehyde (2R)-2-hydroxy-2-phenyl-2-(p-tol…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 13025489

  • SureChEMBL

    • SCHEMBL10839093

  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)	2.57	6.08	-6.7	1	2	0	37	226.275	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39374787
• 39374788
  

  Analogs

  4692218

  

  Popular Name: (2S)-2-hydroxy-2-phenyl-2-(p-tolyl)acetaldehyde (2S)-2-hydroxy-2-phenyl-2-(p-tol…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 13025489

  • SureChEMBL

    • SCHEMBL10839093

  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)	2.57	6.07	-6.67	1	2	0	37	226.275	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39374788
• 4242210
  

  Analogs

  4242211

  

  4242263

  

  4242265

  

  4255642

  

  4530475

  

  Popular Name: 4-tert-Butylbenzhydrol 4-tert-Butylbenzhydrol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Bosche Scientific

    • B10669

  • Chembo Pharma

    • KB-195104

  • Fluorochem

    • 022415

  • Molport BB

    • MolPort-000-152-532

  • Oakwood Chemical

    • 022415

  And 8 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)	4.56	8.28	-4.23	1	1	0	20	240.346	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04242210
• 4242211
  

  Analogs

  4242263

  

  4242265

  

  4255642

  

  4530475

  

  4552045

  

  Popular Name: 4-tert-Butylbenzhydrol 4-tert-Butylbenzhydrol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Bosche Scientific

    • B10669

  • Chembo Pharma

    • KB-195104

  • Fluorochem

    • 022415

  • Molport BB

    • MolPort-000-152-532

  • Oakwood Chemical

    • 022415

  And 7 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)	4.56	0.63	-4.24	1	1	0	20	240.346	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04242211
• 4242263
  

  Analogs

  4242265

  

  4255642

  

  4530475

  

  4552045

  

  4552049

  

  Popular Name: 4-tert-Butyl-4'-methylbenzhydrol 4-tert-Butyl-4'-methylbenzhydrol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Fluorochem

    • 022397

  • Molport BB

    • MolPort-000-152-583

  • Tetrahedron Building Blocks

    • TS28672

  • ChemDB

    • 7087865

  • PubChem

    • 2757293

  And 4 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)	5.01	0.96	-4.27	1	1	0	20	254.373	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04242263
• 4242265
  

  Analogs

  4255642

  

  4530475

  

  4552045

  

  4552049

  

  4671416

  

  Popular Name: 4-tert-Butyl-4'-methylbenzhydrol 4-tert-Butyl-4'-methylbenzhydrol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Fluorochem

    • 022397

  • Molport BB

    • MolPort-000-152-583

  • Tetrahedron Building Blocks

    • TS28672

  • ChemDB

    • 7087865

  • PubChem

    • 2757293

  And 4 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)	5.01	0.96	-4.27	1	1	0	20	254.373	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04242265
• 4255642
  

  Analogs

  4530475

  

  4552045

  

  4552049

  

  4671416

  

  4692218

  

  Popular Name: Tri(p-tolyl)methanol Tri(p-tolyl)methanol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S109053|ALDRICH

  • Alfa-Aesar

    • L02392

  • FineTech

    • FT-0616980

  • Florida Heterocyclic Compounds

    • 2051

  • NCI Plated 2007

    • 123489

  And 13 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)	5.87	1.42	-4.91	1	1	0	20	302.417	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04255642
• 4530475
  

  Analogs

  4552045

  

  4552049

  

  4671416

  

  4692218

  

  39374787

  

  Popular Name: tris(4-tert-butylphenyl)methanol tris(4-tert-butylphenyl)methanol

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S112380|ALDRICH
    • S55698|ALDRICH

  • TimTec

    • ST51251079

  • ChEMBL19

    • CHEMBL1977608

  • ChemDB

    • 6653294

  And 2 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)	9.64	3.92	-3.73	1	1	0	20	428.66	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04530475
• 4552045
  

  Analogs

  4671416

  

  4692218

  

  40254830

  

  40254832

  

  41388202

  

  Popular Name: alpha,alpha,alpha',alpha'-Tetraphenyl-1,4-benzenedimethanol alpha,alpha,alpha',alpha'-Tetrap…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S53148|ALDRICH

  • FineTech

    • FT-0622079

  • TimTec

    • ST51254536

  • ChemDB

    • 6662419

  • PubChem

    • 45049320

  And 2 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)	7.11	-0.31	-7.4	2	2	0	40	442.558	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04552045
• 4552049
  

  Analogs

  4671416

  

  4692218

  

  40254830

  

  40254832

  

  41388202

  

  Popular Name: [4-[hydroxy-bis(p-tolyl)methyl]phenyl]-bis(p-tolyl)methanol [4-[hydroxy-bis(p-tolyl)methyl]p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • S54489|ALDRICH

  • TimTec

    • ST51254626

  • ChemDB

    • 6662743

  • PubChem

    • 3655378

  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)	8.90	0.99	-6.92	2	2	0	40	498.666	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04552049