UCSF

ZINC01718823

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) -1.94 -2.26 -121.64 0 6 -2 114 236.226 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0431568B1; EP0513766B1; US4906541; US5298370; US5399674; US5401621; US5415983 IBM Patent Data
PUBCHEM_PATENT_ID US5399674 IBM Patent Data

Activity (Go SEA)

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