UCSF

ZINC34539877

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) 0.40 1.37 -32.48 3 3 1 48 143.21 2
Hi High (pH 8-9.5) 0.40 -0.52 -8.91 2 3 0 46 142.202 2

Vendor Notes

Note Type Comments Provided By
MP 110 TCI
PUBCHEM_PATENT_ID EP0253785A1; EP0253785B1; EP0270596A1; US5300660; US5468876 IBM Patent Data

Activity (Go SEA)

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