UCSF

ZINC18082430

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) -1.64 -6.81 -10.53 4 5 0 98 164.157 4
Hi High (pH 8-9.5) -2.49 -5.27 -54.78 3 5 -1 101 163.149 4
Hi High (pH 8-9.5) -2.49 -4.65 -55.89 3 5 -1 101 163.149 4

Vendor Notes

Note Type Comments Provided By
M.P 197.6-198C Indofine Natural Products
ALOGPS_SOLUBILITY 2.58e+02 g/l DrugBank-experimental
M.P 90-95 °C Indofine Natural Products
Patent Database Links EP1887017 ChEBI
SOLUBILITY H2O: 0.1 g/mL, clear, colorless Indofine Natural Products
UniProt Database Links LECG_BOTAT ChEBI
APPEARANCE White crystal Indofine Natural Products

Activity (Go SEA)

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