UCSF

ZINC59447958

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) -4.82 -5.31 -86.31 5 9 -1 173 306.32 9
Hi High (pH 8-9.5) -4.90 -2.98 -176.78 4 9 -3 168 304.304 9
Hi High (pH 8-9.5) -4.90 -2.67 -143.73 5 9 -2 170 305.312 9
Hi High (pH 8-9.5) -4.90 -3.55 -102.75 4 9 -2 168 305.312 9
Hi High (pH 8-9.5) -4.82 -5.09 -170.7 4 9 -3 171 304.304 9
Hi High (pH 8-9.5) -4.82 -4.77 -134.94 5 9 -2 173 305.312 9
Hi High (pH 8-9.5) -4.82 -5.63 -99 4 9 -2 171 305.312 9

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.