UCSF

ZINC18069203

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) -0.79 -3.95 -34.73 3 7 -1 124 155.093 1
Hi High (pH 8-9.5) -1.59 -4.76 -93.92 2 7 -2 128 154.085 1
Hi High (pH 8-9.5) -1.59 -4.7 -93.38 2 7 -2 128 154.085 1
Hi High (pH 8-9.5) -1.80 -6.95 -207.35 1 7 -3 131 153.077 0
Lo Low (pH 4.5-6) -1.25 -3.8 -31.6 4 7 0 121 156.101 1

Activity (Go SEA)

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