UCSF

ZINC19855121

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) -4.54 -9.05 -463.01 3 14 -5 251 431.084 11
Mid Mid (pH 6-8) -4.54 -1.27 -575.74 2 14 -6 262 430.076 11
Mid Mid (pH 6-8) -4.54 -2.38 -434.88 3 14 -5 259 431.084 11
Lo Low (pH 4.5-6) -4.54 -8.29 -193.73 5 14 -3 249 433.1 11
Lo Low (pH 4.5-6) -4.54 -6.8 -304.47 4 14 -4 252 432.092 11
Lo Low (pH 4.5-6) -4.54 -10.5 -310.71 4 14 -4 248 432.092 11

Activity (Go SEA)

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