UCSF

ZINC08616246

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) 1.79 5.92 -11.58 1 3 0 42 225.247 1

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 286? dec. Alfa-Aesar
Melting_Point ca 286° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0369733A2; EP0369733B1; US5134232; US5948906 IBM Patent Data

Activity (Go SEA)

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