UCSF

ZINC33753797

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) -1.14 4.56 -41.97 8 9 1 159 451.979 11
Mid Mid (pH 6-8) -1.01 5.61 -94.35 9 9 2 158 452.987 12
Mid Mid (pH 6-8) -1.14 4.88 -85.17 9 9 2 160 452.987 11
Lo Low (pH 4.5-6) -1.01 7.19 -193.44 10 9 3 159 453.995 12
Lo Low (pH 4.5-6) -1.14 7.11 -164.45 10 9 3 161 453.995 11

Activity (Go SEA)

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