UCSF

ZINC49135178

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 26 Yes

CAS Numbers: 162401-32-3 , [162401-32-3]

Other Names:

MFCD00938270

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) 4.26 8.05 -14.06 1 5 0 60 403.212 7

Vendor Notes

Note Type Comments Provided By
Indications NSAID KeyOrganics Bioactives

Activity (Go SEA)

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

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