UCSF

ZINC01530283

Annotations

Vendors

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) -3.06 0.27 -108.25 3 7 -2 135 188.139 5
Lo Low (pH 4.5-6) -3.06 -1.71 -55.94 4 7 -1 133 189.147 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.91e+01 g/l DrugBank-approved
MP 161 - 163 Enamine Building Blocks
MP 161...163 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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