UCSF

ZINC38141468

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) 3.48 10.75 -51.56 0 4 -1 60 270.393 12

Vendor Notes

Note Type Comments Provided By
Mp [°C] 45 - 47 Acros Organics
PUBCHEM_PATENT_ID EP0563908A1; US5432267 IBM Patent Data
P phrase P262: Do not get in eyes, on skin, or on clothing Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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