UCSF

ZINC14951183

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) -0.98 5.72 -13.18 1 7 0 86 210.193 3
Mid Mid (pH 6-8) -0.80 3.92 -47.7 0 7 -1 92 209.185 3
Mid Mid (pH 6-8) -0.81 5.4 -70.85 2 7 1 91 211.201 3

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.