UCSF

ZINC04806442

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) -1.52 -3.54 -143.91 4 12 -2 192 345.208 4
Lo Low (pH 4.5-6) -1.52 -3.28 -142.82 5 12 -1 193 346.216 4
Lo Low (pH 4.5-6) -1.52 -7.65 -144.04 5 12 -1 193 346.216 4

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 190? dec. Alfa-Aesar
Melting_Point ca 190° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0022005A1; EP0238951A2; EP0238951B1; EP0245138B1; EP0320807A2; EP0322677A2; EP0322677B1; EP0324610A2; EP0324610B1; EP0344795A1; EP0344795B1; EP0348688A1; EP0348688B1; EP0420817A1; EP0420817B1; EP0703911A1; EP0703911B1; EP0739169A1; EP0779097A1; EP081583 IBM Patent Data
Purity ¡Ý95.0% APIChem

Activity (Go SEA)

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