UCSF

ZINC00057537

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 20 Yes

Popular Name: Zomepirac sodium Zomepirac sodium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 64092-48-4 , 64092-49-5 , 64092-49-5, 64092-48-4 [a , 64092-49-5, 64092-48-4 [anhydrous], 33369-31-2 [zomepirac]

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) 3.33 9.6 -44.32 0 4 -1 62 290.726 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.60e-02 g/l DrugBank-withdrawn
Therapy analgesic, antiinflammatory SMDC Iconix
Patent Database Links EP1231209; EP1600154; EP1743630; EP1815846; EP1829527; EP1829528; EP1938803; GB2321455; US2001006962; US2003153544; US2004063677; US2004077691; US2004161481; US2005004118; US2005080003; US2005261242; US2007196350; US2007197499; US2007197661; WO2005002293 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 1630 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 1630 0.41 Functional ≤ 10μM

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