UCSF

ZINC42783316

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) 2.53 4.1 -37.64 2 2 1 20 197.346 3
Hi High (pH 8-9.5) 2.53 4.62 -29.48 2 2 1 16 197.346 3
Lo Low (pH 4.5-6) 2.53 6.05 -104.74 3 2 2 21 198.354 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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