UCSF

ZINC22016702

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) 1.34 6.81 -42.41 1 3 1 22 176.243 2
Mid Mid (pH 6-8) 1.34 4.28 -8.51 0 3 0 21 175.235 2
Lo Low (pH 4.5-6) 1.34 7.27 -91.91 2 3 2 23 177.251 2

Vendor Notes

Note Type Comments Provided By
MP 189 - 191 Enamine Building Blocks
MP 189...191 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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