UCSF

ZINC13558688

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) -3.70 -0.68 -42.66 7 7 0 138 190.203 6
Ref Reference (pH 7) -3.70 -0.68 -76.02 8 7 1 140 191.211 6
Hi High (pH 8-9.5) -3.70 -1.03 -59.23 7 7 0 138 190.203 6
Hi High (pH 8-9.5) -3.70 -1 -43.06 6 7 -1 137 189.195 6
Hi High (pH 8-9.5) -3.70 -0.98 -43.66 6 7 -1 137 189.195 6

Activity (Go SEA)

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

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