UCSF

ZINC18169010

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) -2.47 -6.96 -26.59 6 9 0 158 253.218 3
Hi High (pH 8-9.5) -2.01 -8.09 -55.75 5 9 -1 161 252.21 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.26e+00 g/l DrugBank-experimental

Activity (Go SEA)

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