UCSF

ZINC02146679

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) 1.56 -1.99 -7 3 3 0 56 149.149 0
Hi High (pH 8-9.5) 1.56 -1.22 -43.85 2 3 -1 59 148.141 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0525472A2; EP0525472A3; EP0658159A1; EP0658159B1; EP0987263A2; US5409949; US5656654; WO1995001349A1 IBM Patent Data

Activity (Go SEA)

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