UCSF

ZINC40354835

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) 1.66 6.64 -51.61 1 4 -1 65 251.265 2
Ref Reference (pH 7) 1.66 6.72 -51.27 1 4 -1 65 251.265 2
Lo Low (pH 4.5-6) 1.66 7.01 -32.11 2 4 0 66 252.273 2
Lo Low (pH 4.5-6) 1.66 6.93 -32.19 2 4 0 66 252.273 2

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.