UCSF

ZINC01601870

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) 1.66 3.59 -41.97 1 3 -1 60 220.031 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010270A1; EP0044276A2; EP0816316A1; US4297364; US4384879; US4447625 IBM Patent Data

Activity (Go SEA)

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