UCSF

ZINC21812888

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) -0.18 1.15 -43.9 3 4 1 59 180.231 4
Hi High (pH 8-9.5) -0.18 -0.32 -9.34 2 4 0 54 179.223 4
Lo Low (pH 4.5-6) -0.18 1.58 -90.2 4 4 2 60 181.239 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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