UCSF

ZINC05749093

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 16 Yes

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) -0.86 3.64 -35.55 4 4 0 84 218.256 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5329013; US5804578; WO1997036873A1 IBM Patent Data

Activity (Go SEA)

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