UCSF

ZINC08699655

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) 1.61 4.25 -49.62 3 1 1 28 166.219 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0757677A1; US5538988; US5719280; WO1995029165A2 IBM Patent Data

Activity (Go SEA)

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