UCSF

ZINC14989407

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 7 No

Download: MOL2 SDF SMILES Flexibase

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) -0.55 0.96 -6 4 4 0 86 116.149 2

Vendor Notes

Note Type Comments Provided By
SOLUBILITY .; H2O: 6 M at 20 °C, clear, colorless Indofine
Melting_Point 118-122? Alfa-Aesar
Melting_Point 118-122° Alfa-Aesar
M.P 120-122 °C Indofine

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.