UCSF

ZINC03861741

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) -1.52 -10.12 -149.79 4 12 -2 191 345.208 4
Lo Low (pH 4.5-6) -4.62 -9.97 -98.22 5 12 -1 193 346.216 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0475160B1; US3941770; US4169011; US4266048; US6143443; US6165500 IBM Patent Data
Patent Database Links EP1547577; WO2007123789 ChEBI

Activity (Go SEA)

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