UCSF

ZINC08101135

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) -5.70 -18.22 -299.7 19 15 4 289 488.535 6
Hi High (pH 8-9.5) -5.70 -18.91 -106.53 17 15 2 286 486.519 6
Hi High (pH 8-9.5) -5.70 -19.11 -123.94 17 15 2 286 486.519 6
Mid Mid (pH 6-8) -5.70 -18.65 -223.05 18 15 3 287 487.527 6

Vendor Notes

Note Type Comments Provided By
mp 252 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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