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• Synonyms (0)
• Vendors (1)
• Annotations (0)
• Representations (4)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (9)

ZINC39911986

• 39911986

Physical Representations

Activity (Go SEA)

• 9409254
  

  Analogs

  38609644

  

  38609645

  

  38609664

  

  38609666

  

  39911884

  

  Popular Name: 7-butyl-2-(2-hydroxyphenyl)-8-(3-phenoxyphenyl)-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien-6-one 7-butyl-2-(2-hydroxyphenyl)-8-(3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK907854

  • eMolecules

    • 9828009

  • Innovapharm

    • STT-00149080

  • Mcule

    • MCULE-5633724891

  • Otava

    • 1687809

  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)	5.91	10.59	-11.25	2	6	0	78	439.515	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.91	11.36	-51.82	1	6	-1	81	438.507	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09409254
• 9409253
  

  Analogs

  38609644

  

  38609645

  

  38609664

  

  38609666

  

  39911884

  

  Popular Name: 7-butyl-2-(2-hydroxyphenyl)-8-(3-phenoxyphenyl)-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien-6-one 7-butyl-2-(2-hydroxyphenyl)-8-(3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK907854

  • eMolecules

    • 9828009

  • Innovapharm

    • STT-00149080

  • Mcule

    • MCULE-5633724891

  • Otava

    • 1687809

  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)	5.91	11.08	-11	2	6	0	78	439.515	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.91	11.84	-52.05	1	6	-1	81	438.507	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC09409253
• 5339669
  

  Analogs

  6752979

  

  6752980

  

  38609646

  

  38609648

  

  38609661

  

  Popular Name: 7-butyl-8-(4-hydroxy-3-methoxy-phenyl)-2-(2-hydroxyphenyl)-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien-6 7-butyl-8-(4-hydroxy-3-methoxy-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK850511

  • eMolecules

    • 4668397
    • 30408630

  • Enamine

    • Z1213666725

  • IBScreen

    • STOCK5S-29248

  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)	3.52	5.17	-13.85	3	7	0	99	393.443	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.50	5.52	-60.95	1	7	-1	98	392.435	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.50	5.75	-47.3	1	7	-1	98	392.435	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC05339669
• 4643441
  

  Analogs

  5339669

  

  38609646

  

  38609648

  

  38609661

  

  38609662

  

  Popular Name: 7-butyl-8-(4-hydroxy-3-methoxy-phenyl)-2-(2-hydroxyphenyl)-3,4,7-triazabicyclo[3.3.0]octa-1,4-dien-6 7-butyl-8-(4-hydroxy-3-methoxy-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK850511

  • eMolecules

    • 4668397
    • 30408630

  • Enamine

    • Z1213666725

  • IBScreen

    • STOCK5S-29248

  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)	3.52	4.77	-14.03	3	7	0	99	393.443	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.50	5.54	-52.77	1	7	-1	98	392.435	6	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.50	5.48	-57.98	1	7	-1	98	392.435	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC04643441
• 6753248
  

  Analogs

  39911784

  

  39911785

  

  39911792

  

  39911793

  

  39911884

  

  Popular Name: 2-(2-hydroxy-5-methyl-phenyl)-8-(3-methoxyphenyl)-7-propyl-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien-6 2-(2-hydroxy-5-methyl-phenyl)-8-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK912316

  • eMolecules

    • 9860835

  • Enamine

    • Z57908907

  • Innovapharm

    • STT-00200236

  • Mcule

    • MCULE-8265742396

  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)	4.08	7.06	-11.28	2	6	0	78	377.444	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.08	7.91	-40.57	1	6	-1	81	376.436	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06753248
• 6753247
  

  Analogs

  39911784

  

  39911785

  

  39911792

  

  39911793

  

  39911884

  

  Popular Name: 2-(2-hydroxy-5-methyl-phenyl)-8-(3-methoxyphenyl)-7-propyl-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien-6 2-(2-hydroxy-5-methyl-phenyl)-8-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK912316

  • eMolecules

    • 9860835

  • Enamine

    • Z57908907

  • Innovapharm

    • STT-00200236

  • Mcule

    • MCULE-8265742396

  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)	4.08	7.4	-11.22	2	6	0	78	377.444	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.08	8.24	-48.52	1	6	-1	81	376.436	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06753247
• 6752980
  

  Analogs

  8567985

  

  8567989

  

  38609646

  

  38609648

  

  38609661

  

  Popular Name: 7-butyl-8-(3,4-dimethoxyphenyl)-2-(2-hydroxyphenyl)-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien-6-one 7-butyl-8-(3,4-dimethoxyphenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK848038

  • eMolecules

    • 4673820
    • 30406900

  • Enamine

    • Z1213666727

  • IBScreen

    • STOCK5S-36186

  And 9 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)	3.83	6.84	-14.13	2	7	0	88	407.47	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.81	7.55	-60.58	0	7	-1	87	406.462	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.81	7.61	-52.91	0	7	-1	87	406.462	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06752980
• 6752979
  

  Analogs

  8567985

  

  8567989

  

  38609646

  

  38609648

  

  38609661

  

  Popular Name: 7-butyl-8-(3,4-dimethoxyphenyl)-2-(2-hydroxyphenyl)-3,4,7-triazabicyclo[3.3.0]octa-2,9-dien-6-one 7-butyl-8-(3,4-dimethoxyphenyl)-…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK848038

  • eMolecules

    • 4673820
    • 30406900

  • Enamine

    • Z1213666727

  • IBScreen

    • STOCK5S-36186

  And 9 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)	3.83	7.24	-13.6	2	7	0	88	407.47	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.81	7.81	-46.79	0	7	-1	87	406.462	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.81	7.59	-59.54	0	7	-1	87	406.462	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06752979
• 6753244
  

  Analogs

  39911782

  

  39911783

  

  39911894

  

  39911895

  

  39911986

  

  Popular Name: 8-(4-hydroxy-3-methoxy-phenyl)-2-(2-hydroxy-5-methyl-phenyl)-7-propyl-3,4,7-triazabicyclo[3.3.0]octa 8-(4-hydroxy-3-methoxy-phenyl)-2…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK912533

  • eMolecules

    • 9861175

  • Enamine

    • Z57908903

  • Innovapharm

    • STT-00200470

  • Mcule

    • MCULE-3150705419

  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)	3.38	4.89	-14.25	3	7	0	99	393.443	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	3.38	5.75	-39.19	2	7	-1	102	392.435	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC06753244