UCSF

ZINC13463992

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) 0.63 -0.26 -43.52 4 5 1 92 249.699 4
Ref Reference (pH 7) 0.50 -0.26 -10.08 3 5 0 93 248.691 3
Hi High (pH 8-9.5) 0.50 -0.29 -15.69 3 5 0 93 248.691 3
Hi High (pH 8-9.5) 0.63 0.75 -24.21 3 5 0 95 248.691 4

Activity (Go SEA)

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

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