UCSF

ZINC71756651

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) -5.04 4.9 -143.1 3 10 -2 176 386.316 4
Hi High (pH 8-9.5) -5.04 5.83 -190.59 2 10 -3 179 385.308 4
Lo Low (pH 4.5-6) -5.04 2.98 -91.54 4 10 -1 173 387.324 4
Lo Low (pH 4.5-6) -5.04 2.93 -75.89 4 10 -1 173 387.324 4

Activity (Go SEA)

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