UCSF

ZINC13519252

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) -4.48 -5.42 -390.16 4 17 -4 282 479.124 8
Mid Mid (pH 6-8) -4.48 -6.58 -253.27 5 17 -3 279 480.132 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4613589; US4613590; WO1999065926A1 IBM Patent Data

Activity (Go SEA)

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