UCSF

ZINC22467287

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 5.31 -105.69 3 2 2 21 170.3 1
Hi High (pH 8-9.5) 1.40 3.87 -31.09 2 2 1 16 169.292 1
Hi High (pH 8-9.5) 1.40 1.44 -0.82 1 2 0 15 168.284 1
Hi High (pH 8-9.5) 1.40 3.14 -36.25 2 2 1 20 169.292 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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