UCSF

ZINC00813405

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) 1.08 2.75 -7.28 2 3 0 52 177.232 1
Lo Low (pH 4.5-6) 1.08 2.98 -32.5 3 3 1 53 178.24 1
Lo Low (pH 4.5-6) 1.08 3.04 -35.47 3 3 1 53 178.24 1
Lo Low (pH 4.5-6) 1.08 3.27 -86.23 4 3 2 54 179.248 1

Vendor Notes

Note Type Comments Provided By
MP 189 - 193 Enamine Building Blocks
MP 190 - 192 Enamine Building Blocks
MP 190...192 Enamine Building Blocks
MP 296-300° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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