UCSF

ZINC30726949

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) 6.24 9.31 -18.42 1 8 0 73 608.735 3
Hi High (pH 8-9.5) 6.24 10.26 -62.27 0 8 -1 76 607.727 3
Lo Low (pH 4.5-6) 6.24 12.07 -60.66 2 8 1 74 609.743 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0108147A1; EP0575496A1; EP0575496B1; EP0580790A1; EP0872903A1; EP0931544A2; US4757124; US4758639; US5025020; US5607693; US5627195; US6096144; US6123943; US6124315; WO1983003970A1; WO1992018131A1; WO1996032108A1; WO2000046383A2; WO2000063418A1 IBM Patent Data

Activity (Go SEA)

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