UCSF

ZINC00156551

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

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) 0.91 1.27 -10.82 2 3 0 52 165.192 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.82e+00 g/l DrugBank-experimental
M.P 182-184°C Indofine
Melting_Point 184-188? Alfa-Aesar
Melting_Point 184-188° Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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