UCSF

ZINC49538599

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 Yes

Popular Name: Isoxicam Isoxicam

Find On: PubMed — Wikipedia — Google

CAS Number: 34552-84-6

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) 1.79 3.57 -49.58 1 8 -1 116 334.333 2 ↓
Mid Mid (pH 6-8) 0.21 3.63 -16.26 1 8 0 110 335.341 2 ↓
Mid Mid (pH 6-8) 0.61 3.76 -47.99 1 8 -1 116 334.333 2 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Analgesic IBScreen Bioactives
biological_use Antiinflammatory IBScreen Bioactives ZereneX Building Blocks
biological_use Antipyretic agent IBScreen Bioactives
Indications arthritis KeyOrganics Bioactives
PUBCHEM_PATENT_ID EP0093999A2; EP0109036A1; EP0114886A1; EP0120494A1; EP0123418A1; EP0138481A2; EP0138481B1; EP0140709A2; EP0140709B1; EP0147735A2; EP0174770A1; EP0177853A2; EP0178121A2; EP0180597A1; EP0180597B1; EP0189788A1; EP0190851A1; EP0203768A2; EP0203768B2; EP021945 IBM Patent Data
Target Others Selleck Chemicals
mechanism Prostaglandin antagonist ZereneX Building Blocks

Activity (Go SEA)

Rings

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

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