UCSF

ZINC05141202

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) 1.97 3.79 -35.8 0 4 -1 45 227.243 2
Lo Low (pH 4.5-6) 1.97 4.58 -30.89 2 4 1 48 229.259 2
Lo Low (pH 4.5-6) 1.97 4.29 -12.17 1 4 0 47 228.251 2
Lo Low (pH 4.5-6) 1.97 4.24 -15.89 1 4 0 47 228.251 2

Activity (Go SEA)

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