UCSF

ZINC18152608

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) -2.64 -8.15 -12.65 5 6 0 118 180.156 5
Ref Reference (pH 7) -2.64 -9.9 -12.65 5 6 0 118 180.156 5
Ref Reference (pH 7) -3.50 -9.13 -15.66 5 6 0 118 180.156 5
Hi High (pH 8-9.5) -3.50 -8.38 -55.27 4 6 -1 121 179.148 5

Vendor Notes

Note Type Comments Provided By
MP 129-131 °C(lit.) Indofine
Melting_Point 129-131? Alfa-Aesar
Melting_Point 129-131° Alfa-Aesar
MP 131 TCI
Melting_Point 148-157? Alfa-Aesar
Melting_Point 148-157° Alfa-Aesar
MP 153 °C Indofine
Purity 99% Fluorochem
UniProt Database Links ARADH_AZOBR; GLRP_CLOPH; RM1DH_PICST; SAL_SILAS ChEBI
Patent Database Links EP1844784; US2003008833; US2003105305; US2004138445 ChEBI
Patent Database Links EP1844784; US2003008833; US2004143024; US2007270496 ChEBI
SOLUBILITY H2O: 0.1 g/mL, clear, colorless Indofine

Activity (Go SEA)

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