User Information

• Synonyms (1)
• Vendors (0)
• Annotations (2)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC05924193

• 5924193

Physical Representations

Activity (Go SEA)

• 20242
  

  Analogs

  1699600

  

  2015833

  

  5158798

  

  5158799

  

  5767994

  

  Popular Name: (2R*,6R*,11R*)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol; 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol; 2'-Hydroxy-5,9-dimethyl-2-(3,3-dimethylallyl)-6,7-benzomorph (2R*,6R*,11R*)-1,2,3,4,5,6-Hexah…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • BindingDB.org

    • 50407300
    • 50032403
    • 50001033

  • ChEMBL12

    • CHEMBL100116
    • CHEMBL1740351

  And 28 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)	4.59	1.07	-36.51	2	2	1	24	286.439	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC00020242
• 1699600
  

  Analogs

  5158798

  

  5158799

  

  5767994

  

  5924193

  

  6095620

  

  Popular Name: (+-)-Pentazocine hydrochloride; (2R*,6R*,11R*)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol hydrochloride; (2alpha,6alpha,11R*)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin (+-)-Pentazocine hydrochloride; …

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Toronto Research Chemicals

    • P274300

  • BindingDB.org

    • 50299715

  • Collaborative Drug Discovery

    • 1355857

  • FDA-approved drugs (via DSSTOX)

    • 894

  • Leadscope via PubChem

    • LS-87470

  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)	4.59	1.07	-34.82	2	2	1	24	286.439	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC01699600
• 2015833
  

  Analogs

  5158798

  

  5158799

  

  5767994

  

  5924193

  

  6095620

  

  Popular Name: (+-)-Pentazocine hydrochloride; (2R*,6R*,11R*)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocin-8-ol hydrochloride; (2alpha,6alpha,11R*)-1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin (+-)-Pentazocine hydrochloride; …

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Sigma Aldrich (Building Blocks)

    • P127|SIGMA
    • P134|SIGMA

  • Toronto Research Chemicals

    • P274300

  • BindingDB.org

    • 50423875
    • 50035131

  And 17 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)	4.59	0.88	-37.21	2	2	1	24	286.439	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC02015833