UCSF

ZINC42783302

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) 1.40 3.86 -30.53 2 2 1 16 169.292 1
Lo Low (pH 4.5-6) 1.40 3.12 -36.2 2 2 1 20 169.292 1
Lo Low (pH 4.5-6) 1.40 5.29 -105.29 3 2 2 21 170.3 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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