UCSF

ZINC30690442

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) 3.30 11.18 -52.17 2 6 1 53 479.641 7
Hi High (pH 8-9.5) 3.30 8.9 -11.2 1 6 0 52 478.633 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0830859A3; EP0911039A2; EP0941079A1; EP1021204A2; US3965255; US4129660; US4133812; US4183941; US4218449; US4426384; US4844900; US5446070; US5540665; US5656286; US5719197; US5849327; US5968253; US5980882; US6024976; WO1996040086A2; WO1997009978A1; WO1997 IBM Patent Data

Activity (Go SEA)

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