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

ZINC09409279

• 9409279

Physical Representations

Activity (Go SEA)

• 39911500
  

  Analogs

  8845242

  

  Popular Name: (3aR,4S)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(2-hydroxyethyl)-4-(3-methoxy-4-pentoxy-phenyl)-3a,4-di (3aR,4S)-3-(2-hydroxy-3,5-dimeth…

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  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223504

  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)	4.50	7.38	-17.85	3	8	0	108	479.577	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.27	7.27	-62.17	1	8	-1	107	478.569	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.27	7.75	-55.34	1	8	-1	107	478.569	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39911500
• 39911501
  

  Analogs

  8845242

  

  Popular Name: (3aR,4R)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(2-hydroxyethyl)-4-(3-methoxy-4-pentoxy-phenyl)-3a,4-di (3aR,4R)-3-(2-hydroxy-3,5-dimeth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223504

  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)	4.50	7.08	-19.05	3	8	0	108	479.577	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.27	7.64	-49.36	1	8	-1	107	478.569	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.27	7.36	-62.03	1	8	-1	107	478.569	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39911501
• 39911528
  

  Analogs

  8845242

  

  Popular Name: (3aR,4S)-4-(3-ethoxy-4-pentoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(2-hydroxyethyl)-3a,4-dih (3aR,4S)-4-(3-ethoxy-4-pentoxy-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223540

  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)	4.88	8.3	-17.76	3	8	0	108	493.604	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.65	8.19	-62.41	1	8	-1	107	492.596	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.65	8.69	-55.14	1	8	-1	107	492.596	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39911528
• 39911529
  

  Analogs

  8845242

  

  Popular Name: (3aR,4R)-4-(3-ethoxy-4-pentoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(2-hydroxyethyl)-3a,4-dih (3aR,4R)-4-(3-ethoxy-4-pentoxy-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223540

  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)	4.88	8.01	-18.97	3	8	0	108	493.604	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.65	8.56	-49.41	1	8	-1	107	492.596	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.65	8.28	-62.19	1	8	-1	107	492.596	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39911529
• 39912076
  

  Analogs

  8845837

  

  Popular Name: (3aR,4S)-5-allyl-3-(2-hydroxy-3,5-dimethyl-phenyl)-4-(3-methoxy-4-pentoxy-phenyl)-3a,4-dihydropyrrol (3aR,4S)-5-allyl-3-(2-hydroxy-3,…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223861

  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)	5.78	10.67	-14.84	2	7	0	88	475.589	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.55	11.19	-57.89	0	7	-1	87	474.581	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.55	10.98	-51.32	0	7	-1	87	474.581	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39912076
• 39912077
  

  Analogs

  8845837

  

  Popular Name: (3aR,4R)-5-allyl-3-(2-hydroxy-3,5-dimethyl-phenyl)-4-(3-methoxy-4-pentoxy-phenyl)-3a,4-dihydropyrrol (3aR,4R)-5-allyl-3-(2-hydroxy-3,…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223861

  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)	5.78	10.96	-15.2	2	7	0	88	475.589	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.55	11.51	-45.53	0	7	-1	87	474.581	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.55	11.21	-57.19	0	7	-1	87	474.581	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39912077
• 39912146
  

  Analogs

  8845837

  

  Popular Name: (3aR,4S)-5-allyl-4-(3-ethoxy-4-pentoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-3a,4-dihydropyrrolo (3aR,4S)-5-allyl-4-(3-ethoxy-4-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223897

  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)	6.15	11.59	-14.81	2	7	0	88	489.616	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.93	12.11	-58.11	0	7	-1	87	488.608	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.93	11.9	-51.1	0	7	-1	87	488.608	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39912146
• 39912147
  

  Analogs

  8845837

  

  Popular Name: (3aR,4R)-5-allyl-4-(3-ethoxy-4-pentoxy-phenyl)-3-(2-hydroxy-3,5-dimethyl-phenyl)-3a,4-dihydropyrrolo (3aR,4R)-5-allyl-4-(3-ethoxy-4-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223897

  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)	6.15	11.89	-15.11	2	7	0	88	489.616	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.93	12.44	-45.6	0	7	-1	87	488.608	11	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	5.93	12.13	-57.37	0	7	-1	87	488.608	11	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39912147
• 39912266
  

  Analogs

  8845838

  

  Popular Name: (3aR,4S)-5-benzyl-3-(2-hydroxy-3,5-dimethyl-phenyl)-4-(3-methoxy-4-pentoxy-phenyl)-3a,4-dihydropyrro (3aR,4S)-5-benzyl-3-(2-hydroxy-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223963

  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)	6.53	12.74	-15	2	7	0	88	525.649	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	6.30	13.65	-58.91	0	7	-1	87	524.641	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	6.30	13.15	-51.17	0	7	-1	87	524.641	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39912266
• 39912267
  

  Analogs

  8845838

  

  Popular Name: (3aR,4R)-5-benzyl-3-(2-hydroxy-3,5-dimethyl-phenyl)-4-(3-methoxy-4-pentoxy-phenyl)-3a,4-dihydropyrro (3aR,4R)-5-benzyl-3-(2-hydroxy-3…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Innovapharm Make-on-Demand

    • VT-00223963

  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)	6.53	13.42	-16.33	2	7	0	88	525.649	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	6.30	13.97	-46.21	0	7	-1	87	524.641	10	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	6.30	13.65	-57.83	0	7	-1	87	524.641	10	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39912267