UCSF

ZINC05318420

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 23 No

CAS Numbers: 70374-39-9 , [70374-39-9]

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) 1.56 2.46 -37.93 1 7 -1 102 370.819 2
Ref Reference (pH 7) 2.74 3.22 -43.52 1 7 -1 102 370.819 2
Mid Mid (pH 6-8) 1.74 1.46 -17.49 2 7 0 103 371.827 1
Mid Mid (pH 6-8) 1.56 2.98 -48.62 3 7 1 101 372.835 2

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
Therapy analgesic, antiinflammatory SMDC Pharmakon
Indications analgesic, NSAID KeyOrganics Bioactives
Target COX Selleck Chemicals
Warnings IRRITANT Matrix Scientific
Target Others Selleck Chemicals

Activity (Go SEA)

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