UCSF

ZINC03869896

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) -3.03 -2.6 -199 2 8 -3 153 213.058 5
Mid Mid (pH 6-8) -3.03 -3.76 -96.79 3 8 -2 150 214.066 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.96e+01 g/l DrugBank-experimental
UniProt Database Links RPIA_PYRHO ChEBI

Activity (Go SEA)

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