User Information

• Synonyms (0)
• Vendors (4)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC12973858

• 12973858

Physical Representations

Activity (Go SEA)

• 12973859
  

  Analogs

  42466395

  

  42466397

  

  42825041

  

  42825044

  

  12973858

  

  Popular Name: 2-hydroxy-3-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 2-hydroxy-3-methyl-N-[[(2R)-tetr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine-REAL

    • Z68136175

  • PubChem

    • 25639290
    • 42918801

  • Enamine BB Make on Demand

    • BBV-104466

  • Mcule Make-on-demand

    • MCULE-1974364158

  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)	2.19	3.12	-10.51	2	4	0	59	235.283	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12973859
• 42466395
  

  Analogs

  48482303

  

  48482305

  

  48753364

  

  12973858

  

  Popular Name: 2-hydroxy-N,3-dimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 2-hydroxy-N,3-dimethyl-N-[[(2S)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61436422

  • Enamine BB Make on Demand

    • BBV-32888422

  • UORSY BB Make-on-demand

    • BBV-32888422

  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)	1.96	4.31	-11.27	1	4	0	50	249.31	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.96	5.19	-56.89	0	4	-1	53	248.302	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42466395
• 42466397
  

  Analogs

  48482303

  

  48482305

  

  48753364

  

  12973858

  

  Popular Name: 2-hydroxy-N,3-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 2-hydroxy-N,3-dimethyl-N-[[(2R)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 61436422

  • Enamine BB Make on Demand

    • BBV-32888422

  • UORSY BB Make-on-demand

    • BBV-32888422

  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)	1.96	4.46	-14.12	1	4	0	50	249.31	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	1.96	5.32	-61.5	0	4	-1	53	248.302	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42466397
• 42825041
  

  Analogs

  48482305

  

  49058666

  

  49058669

  

  42824988

  

  42824985

  

  Popular Name: 2-hydroxy-3-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]benzamide 2-hydroxy-3-methyl-N-[[(2S)-tetr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55013784

  • Enamine BB Make on Demand

    • BBV-33263335

  • UORSY BB Make-on-demand

    • BBV-33263335

  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)	2.69	3.96	-10.28	2	4	0	59	249.31	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.69	4.96	-54.44	1	4	-1	61	248.302	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42825041
• 42825044
  

  Analogs

  48482305

  

  49058666

  

  49058669

  

  42824988

  

  42824985

  

  Popular Name: 2-hydroxy-3-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]benzamide 2-hydroxy-3-methyl-N-[[(2R)-tetr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 55013784

  • Enamine BB Make on Demand

    • BBV-33263335

  • UORSY BB Make-on-demand

    • BBV-33263335

  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)	2.69	4.02	-9.87	2	4	0	59	249.31	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.69	5.01	-54.39	1	4	-1	61	248.302	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC42825044