UCSF

ZINC04213012

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) 5.16 3.39 -45.49 1 2 1 21 350.526 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.57e-04 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0031234A1; EP0415693A1; EP0608850A1; EP0608850B1; EP0608893A1; EP0647448A1; EP0720744A1; EP0737066A1; EP0785775A1; EP0858329A1; EP1003494A1; EP1021204A2; EP1023896A2; EP1041987A1; EP1059916A1; US3966556; US3966744; US3966764; US3975237; US4067774; US412 IBM Patent Data

Activity (Go SEA)

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