UCSF

ZINC36377954

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) -3.54 -1.95 -370.27 4 18 -4 290 503.15 8
Mid Mid (pH 6-8) -3.54 -3.1 -233.46 5 18 -3 288 504.158 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0086053A1; EP0089240A1; EP0142125A2; EP0329184A2; EP0344795A1; EP0344795B1; EP0344807A2; EP0344807B1; EP0348688A1; EP0348688B1; EP0356196A2; EP0356196B1; EP0383803A1; EP0383803B1; EP0392377A2; EP0392377B1; EP0440699B1; EP0507870A1; EP0507870B1; EP052764 IBM Patent Data

Activity (Go SEA)

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

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