UCSF

ZINC31996671

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) 2.15 4.18 -31.48 2 2 1 16 183.319 2
Hi High (pH 8-9.5) 2.15 2.09 -0.67 1 2 0 15 182.311 2
Lo Low (pH 4.5-6) 2.15 3.45 -35.79 2 2 1 20 183.319 2
Lo Low (pH 4.5-6) 2.15 5.63 -106.19 3 2 2 21 184.327 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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