UCSF

ZINC00001003

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 Yes

Popular Name: BENORILATE BENORILATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5003-48-5 , [5003-48-5]

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) 2.61 9.11 -18.99 1 6 0 82 313.309 6 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
therap analgesic, antipyretic, antiinflammatory MicroSource World Drugs

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.