UCSF

ZINC34926342

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) -0.16 1.89 -58.19 1 6 -1 84 269.321 4
Lo Low (pH 4.5-6) -0.16 2.16 -44.36 3 6 1 82 271.337 4
Lo Low (pH 4.5-6) -0.16 -0.08 -14.24 2 6 0 81 270.329 4
Lo Low (pH 4.5-6) -0.16 4.13 -71.15 2 6 0 85 270.329 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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