UCSF

ZINC13483679

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) -0.91 2.08 -47.58 3 5 0 88 186.211 3
Hi High (pH 8-9.5) -0.91 -0.1 -48.17 2 5 -1 86 185.203 3
Mid Mid (pH 6-8) -0.59 -1.71 -45.6 2 5 -1 87 185.203 3

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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