UCSF

ZINC16696941

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) 1.86 4.28 -8.38 3 4 0 68 242.278 4
Ref Reference (pH 7) 1.86 5.01 -9.45 3 4 0 68 242.278 4
Ref Reference (pH 7) 1.98 4.35 -27.66 4 4 1 67 243.286 5
Lo Low (pH 4.5-6) 1.86 4.33 -28.18 4 4 1 69 243.286 4
Lo Low (pH 4.5-6) 1.86 4.23 -29.8 4 4 1 69 243.286 4

Vendor Notes

Note Type Comments Provided By
MP 120 - 122 Enamine Building Blocks
MP 120...122 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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