UCSF

ZINC00389551

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) -1.33 -1.14 -42.78 3 3 0 67 131.175 2
Hi High (pH 8-9.5) 2.25 10.7 -18.58 1 9 0 92 431.5 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
MP >300 °C(lit.) Indofine
Melting_Point >300? Alfa-Aesar
Melting_Point >300? dec Alfa-Aesar
Melting_Point >300° Alfa-Aesar
SOLUBILITY H2O: 0.1 g/mL, clear, colorless Indofine
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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