UCSF

ZINC38192629

Annotations

Vendors

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) 1.35 6.53 -111.84 0 4 -2 80 198.218 2
Lo Low (pH 4.5-6) 1.35 4.6 -51.35 1 4 -1 77 199.226 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 183 - 187 Acros Organics
Melting_Point 183-188? Alfa-Aesar
Melting_Point 183-188° Alfa-Aesar
MP 187 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0991619A1; WO1998058902A1 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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