UCSF

ZINC38534465

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) 2.71 10.99 -112.71 2 8 -2 138 420.506 6
Mid Mid (pH 6-8) 2.71 8.93 -61.9 3 8 -1 136 421.514 6
Lo Low (pH 4.5-6) 2.71 6.95 -17.8 4 8 0 133 422.522 6

Activity (Go SEA)

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