UCSF

ZINC02034893

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) 3.45 9.31 -38.78 1 3 1 31 236.335 6

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.727 Bitter DB
PUBCHEM_PATENT_ID EP0000809A1; EP0006298A1; EP0019411A1; EP0941077A1; EP0999839A1; EP1021204A2; US4113879; US4152341; US4303649; US4323575; US4355045; US4423070; US4470997; US5446070; US5540912; US5656286; US5719197; US6024976; USRE31467; WO1993019739A1; WO1995016465A1; WO IBM Patent Data

Activity (Go SEA)

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