UCSF

ZINC02041027

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) -0.72 -3.34 -52.25 3 7 -1 121 178.131 0
Hi High (pH 8-9.5) -0.26 -5.46 -110.34 2 7 -2 124 177.123 0
Lo Low (pH 4.5-6) -1.62 -1.23 -12.95 4 7 0 118 179.139 0

Vendor Notes

Note Type Comments Provided By
therap cell proliferation inhibitor MicroSource Spectrum

Activity (Go SEA)

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