UCSF

ZINC00000667

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) 3.90 0.82 -36.33 2 4 1 50 332.464 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1021204A2; US5446070; US5656286; US5719197; US6024976; WO1996040086A2; WO1999015210A2; WO2000048636A1 IBM Patent Data

Activity (Go SEA)

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