UCSF

ZINC33902346

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) 2.35 7.34 -10.53 1 3 0 54 328.452 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.04e-02 g/l DrugBank-approved
ALOGPS_SOLUBILITY 2.25e-02 g/l DrugBank-approved
Patent Database Links EP1535618; EP1862167; GB2321455; US2001006962; US2003153544; US2004063677; US2007189977; US2007190067; US2007196323; US2007196452; US2007196453; US2007203074; US2007207141; US2007253899; US2007254853; US2007258969; US2008261978; US2008292585; US2008293711 ChEBI

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.