UCSF

ZINC03871703

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) 2.46 -0.05 -63.18 1 5 0 66 388.895 8
Lo Low (pH 4.5-6) 2.46 0.15 -99.22 2 5 1 67 389.903 8

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.03e-02 g/l DrugBank-approved

Activity (Go SEA)

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