UCSF

ZINC31841011

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) -3.74 5.52 -299.45 0 14 -4 216 436.322 4
Lo Low (pH 4.5-6) -3.74 3.54 -194.47 1 14 -3 213 437.33 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0341409A1; EP0341409B1; US5104895 IBM Patent Data

Activity (Go SEA)

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