UCSF

ZINC17545546

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) -0.64 -0.47 -26.86 6 15 0 209 600.714 0
Hi High (pH 8-9.5) -0.64 2.69 -78.88 5 15 -1 212 599.706 0
Hi High (pH 8-9.5) -0.64 3.75 -132.42 4 15 -2 215 598.698 0
Hi High (pH 8-9.5) -0.64 4.81 -199.79 3 15 -3 217 597.69 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0106975A1; EP0547403A1; US4479936; US5789188 IBM Patent Data

Activity (Go SEA)

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