UCSF

ZINC02539205

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) 1.50 4.29 -51.04 1 5 -1 78 248.324 7

Vendor Notes

Note Type Comments Provided By
MP 47 - 50 Enamine Building Blocks
MP 47-50 °C(lit.) Indofine
MP 47...50 Enamine Building Blocks
Melting_Point 48-51? Alfa-Aesar
Melting_Point 48-51° Alfa-Aesar
MP 50 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0318091B1 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% )