UCSF

ZINC02034718

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) 1.67 1.96 -1.5 1 1 0 20 102.177 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 127-129? Alfa-Aesar
Boiling_Point 127-129° Alfa-Aesar
PUBCHEM_PATENT_ID EP0336420A2; EP0619345A1; EP0619345B1; EP0723961A1; EP0815083A1; US4035379; US5124067; US5646273; US5750229; US6028033; WO1998029383A1; WO1998029384A1; WO1998031681A1; WO1999029671A1; WO1999057111A1; WO2000001700A1 IBM Patent Data

Activity (Go SEA)

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