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

ZINC40041976

• 40041976

Physical Representations

Activity (Go SEA)

• 8917242
  

  Analogs

  8917243

  

  39824399

  

  39824405

  

  39824406

  

  39824409

  

  Popular Name: (4-butoxy-3-methoxy-phenyl)-ethyl-BLAHdione (4-butoxy-3-methoxy-phenyl)-ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK912728

  • eMolecules

    • 9862154

  • Enamine

    • Z1213675982

  • Innovapharm

    • STT-00200701

  • Mcule

    • MCULE-2393986857

  And 6 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)	4.30	2.74	-12.86	0	6	0	68	407.466	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08917242
• 8917243
  

  Analogs

  39824399

  

  39824405

  

  39824406

  

  39824409

  

  39824410

  

  Popular Name: (4-butoxy-3-methoxy-phenyl)-ethyl-BLAHdione (4-butoxy-3-methoxy-phenyl)-ethy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK912728

  • eMolecules

    • 9862154

  • Enamine

    • Z1213675982

  • Innovapharm

    • STT-00200701

  • Mcule

    • MCULE-2393986857

  And 6 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)	4.30	2.79	-12.81	0	6	0	68	407.466	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08917243
• 8917241
  

  Analogs

  8917242

  

  8917243

  

  39824395

  

  39824396

  

  39824399

  

  Popular Name: ethyl-(4-isopentyloxy-3-methoxy-phenyl)-BLAHdione ethyl-(4-isopentyloxy-3-methoxy-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK912727

  • eMolecules

    • 9862152

  • Innovapharm

    • STT-00200700

  • Mcule

    • MCULE-3448540368

  • Otava

    • 7119984131

  And 5 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)	4.51	3.11	-12.63	0	6	0	68	421.493	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08917241
• 8917240
  

  Analogs

  8917241

  

  8917242

  

  8917243

  

  39824395

  

  39824396

  

  Popular Name: ethyl-(4-isopentyloxy-3-methoxy-phenyl)-BLAHdione ethyl-(4-isopentyloxy-3-methoxy-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK912727

  • eMolecules

    • 9862152

  • Innovapharm

    • STT-00200700

  • Mcule

    • MCULE-3448540368

  • Otava

    • 7119984131

  And 5 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)	4.51	3.05	-12.69	0	6	0	68	421.493	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08917240
• 8917251
  

  Analogs

  39824539

  

  39824540

  

  39824543

  

  39824544

  

  39824549

  

  Popular Name: (4-butoxy-3-ethoxy-phenyl)-ethyl-BLAHdione (4-butoxy-3-ethoxy-phenyl)-ethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK912732

  • eMolecules

    • 9862162

  • Enamine

    • Z1213675988

  • Innovapharm

    • STT-00200705

  • Mcule

    • MCULE-4744386939

  And 6 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)	4.67	2.8	-12.63	0	6	0	68	421.493	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08917251
• 8917250
  

  Analogs

  8917251

  

  39824539

  

  39824540

  

  39824543

  

  39824544

  

  Popular Name: (4-butoxy-3-ethoxy-phenyl)-ethyl-BLAHdione (4-butoxy-3-ethoxy-phenyl)-ethyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK912732

  • eMolecules

    • 9862162

  • Enamine

    • Z1213675988

  • Innovapharm

    • STT-00200705

  • Mcule

    • MCULE-4744386939

  And 6 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)	4.67	2.75	-12.71	0	6	0	68	421.493	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08917250
• 2865732
  

  Analogs

  39910858

  

  39910859

  

  39910884

  

  39910885

  

  39910886

  

  Popular Name: (1S)-1-(4-amoxy-3-methoxy-phenyl)-2-(2-furfuryl)-1H-chromeno[2,3-c]pyrrole-3,9-quinone (1S)-1-(4-amoxy-3-methoxy-phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK515561

  • eMolecules

    • 2481038

  • ChemBridge

    • 7911100

  • Enamine

    • Z57905103

  • Innovapharm

    • STT-00145145

  And 10 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)	5.08	3.53	-13.73	0	7	0	82	473.525	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02865732
• 2865733
  

  Analogs

  39910858

  

  39910859

  

  39910884

  

  39910885

  

  39910886

  

  Popular Name: (1R)-1-(4-amoxy-3-methoxy-phenyl)-2-(2-furfuryl)-1H-chromeno[2,3-c]pyrrole-3,9-quinone (1R)-1-(4-amoxy-3-methoxy-phenyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK515561

  • eMolecules

    • 2481038

  • ChemBridge

    • 7911100

  • Enamine

    • Z57905103

  • Innovapharm

    • STT-00145145

  And 10 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)	5.08	3.24	-13.65	0	7	0	82	473.525	9	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02865733
• 8869472
  

  Analogs

  8869473

  

  39839335

  

  39910760

  

  39910761

  

  39910790

  

  Popular Name: (4-butoxy-3-methoxy-phenyl)-(2-furylmethyl)-methyl-BLAHdione (4-butoxy-3-methoxy-phenyl)-(2-f…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK910697

  • eMolecules

    • 9245420

  • Enamine

    • Z1213672188

  • Innovapharm

    • STT-00198098

  • Mcule

    • MCULE-1995020281

  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)	5.00	3.44	-13.44	0	7	0	82	473.525	8	↓ MOL2 SDF SMILES Flexibase

  More about ZINC08869472