UCSF

ZINC43773196

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) -1.60 0.56 -65.76 5 10 -1 181 441.416 2
Hi High (pH 8-9.5) -1.75 -2.24 -68.25 6 10 -1 184 441.416 1
Mid Mid (pH 6-8) -2.34 -0.69 -19.4 6 10 0 178 442.424 1
Mid Mid (pH 6-8) -1.75 -0.41 -71.15 7 10 0 186 442.424 1
Lo Low (pH 4.5-6) -2.34 0.98 -45.95 7 10 1 180 443.432 1

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.122 Bitter DB

Activity (Go SEA)

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