UCSF

ZINC95617679

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 17.32 -53.24 2 15 1 173 813.026 11
Hi High (pH 8-9.5) 3.70 14.98 -23.85 1 15 0 172 812.018 11
Mid Mid (pH 6-8) 3.70 17.79 -92.16 3 15 2 174 814.034 11

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.83e-02 g/l DrugBank-approved

Activity (Go SEA)

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

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