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• Synonyms (0)
• Vendors (0)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (8)

ZINC32192130

• 32192130

Physical Representations

Activity (Go SEA)

• 1669065
  

  Analogs

  32192130

  

  Popular Name: acetic-acid-(2-hydroxy-4,5-dimethoxy-phenyl)-ester acetic-acid-(2-hydroxy-4,5-dimet…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5173452

  • PubChem

    • 297115

  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)	0.42	1.35	-10.4	1	5	0	65	212.201	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01669065
• 394918
  

  Analogs

  32192130

  

  34561703

  

  Popular Name: 2,6-Dimethoxyphenylacetate 2,6-Dimethoxyphenylacetate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Tetrahedron Building Blocks

    • TS53649

  • ChemDB

    • 6663189

  • PubChem

    • 255587

  • SureChEMBL

    • SCHEMBL3755885

  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)	1.11	3.18	-12.67	0	4	0	44	196.202	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00394918
• 1727806
  

  Analogs

  17328690

  

  21997253

  

  32192130

  

  481587

  

  Popular Name: acetic-acid-(2,4-diacetoxy-5-methoxy-phenyl)-ester acetic-acid-(2,4-diacetoxy-5-met…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5157665

  • PubChem

    • 286316

  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)	-0.28	6.2	-19.25	0	7	0	88	282.248	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01727806
• 21997253
  

  Analogs

  32192130

  

  1727806

  

  Popular Name: 2,5-Dimethoxyphenyl acetate 2,5-Dimethoxyphenyl acetate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Ark Pharm Building Blocks

    • AK140346

  • PubChem

    • 587451

  • SureChEMBL

    • SCHEMBL3327344

  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)	1.14	4.76	-10.91	0	4	0	45	196.202	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21997253
• 481587
  

  Analogs

  1727806

  

  32192130

  

  Popular Name: 4-(acetyloxy)-2,6-dimethoxyphenyl acetate 4-(acetyloxy)-2,6-dimethoxypheny…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Specs

    • AK-087/42718319

  • eMolecules

    • 7588740

  • Molport

    • MolPort-002-818-071

  • Mcule

    • MCULE-2654310743

  • ChemDB

    • 5247266

  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)	0.62	4.73	-15.99	0	6	0	71	254.238	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00481587
• 56433
  

  Analogs

  1727806

  

  32192130

  

  Popular Name: benzene-1,2,4-triyl triacetate benzene-1,2,4-triyl triacetate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK380185

  • Vitas-M BB

    • BBL002995

  • eMolecules

    • 480641

  • Molport

    • MolPort-001-779-771

  • AK Scientific

    • 9176AB

  And 30 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)	0.13	6.01	-18.02	0	6	0	78	252.222	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00056433
• 17328690
  

  Analogs

  32192130

  

  1727806

  

  Popular Name: (2,3,4,5,6-pentaacetoxyphenyl) (2,3,4,5,6-pentaacetoxyphenyl)

  Find On: PubMed — Wikipedia — Google

  Vendors

  • ChemDB

    • 5057977

  • PubChem

    • 252501

  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)	-1.04	13.59	-39.11	0	12	0	158	426.33	12	↓ MOL2 SDF SMILES Flexibase

  More about ZINC17328690
• 13376124
  

  Analogs

  32192130

  

  Popular Name: 2,4,6-Trimethoxyphenyl acetate 2,4,6-Trimethoxyphenyl acetate

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Indofine

    • CS-956

  • HMDB Food

    • HMDB41560

  • Human Metabolome Database

    • HMDB41560

  • PubChem

    • 68597137

  • SureChEMBL

    • SCHEMBL3326825

  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)	1.12	4.39	-12.56	0	5	0	54	226.228	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC13376124