UCSF

ZINC00000822

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) 3.52 11.6 -36.53 1 3 1 25 309.433 6
Hi High (pH 8-9.5) 3.52 9.31 -10.39 0 3 0 24 308.425 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0273401A1; EP0273401B1; US4849441 IBM Patent Data

Activity (Go SEA)

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