UCSF

ZINC00152878

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) 0.28 -2.18 -7.71 2 3 0 53 139.154 1
Hi High (pH 8-9.5) 0.28 -1.42 -44.86 1 3 -1 56 138.146 1
Mid Mid (pH 6-8) 0.28 -1.51 -26.95 3 3 1 55 140.162 1
Lo Low (pH 4.5-6) 0.28 -0.74 -20.04 2 3 0 57 139.154 1

Vendor Notes

Note Type Comments Provided By
MP 156 - 158 Enamine Building Blocks
MP 156...158 Enamine Building Blocks
Mp [°C] 157 - 159 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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