UCSF

ZINC03875311

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 21 Yes

Popular Name: 2-(10-Oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid 2-(10-Oxo-10,11-dihydrodibenzo[b…

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CAS Numbers: 74711-43-6 , 89482-00-8 , [74711-43-6] , [89482-00-8]

Download: MOL2 SDF SMILES Flexibase

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) 3.57 0.72 -48.92 0 3 -1 57 297.355 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Target COX Selleck Chemicals

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )