UCSF

ZINC02244139

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) 2.16 5.29 -54.36 1 7 -1 97 324.353 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0455006A2; EP0455006A3; EP0455006B1; US5061727; US5106867; US5151439; US5245053; US5373020 IBM Patent Data

Activity (Go SEA)

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

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