UCSF

ZINC04096204

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) -3.37 -6.12 -345.52 3 12 -4 215 336.082 6
Mid Mid (pH 6-8) -3.37 -7.27 -220.14 4 12 -3 212 337.09 6
Mid Mid (pH 6-8) -3.37 -7.27 -217.23 4 12 -3 212 337.09 6
Lo Low (pH 4.5-6) -3.37 -8.43 -110.17 5 12 -2 209 338.098 6

Vendor Notes

Note Type Comments Provided By
UniProt Database Links GATY_ECO24; GATY_ECO27; GATY_ECO45; GATY_ECO55; GATY_ECO57; GATY_ECO5E; GATY_ECO7I; GATY_ECO8A; GATY_ECOBW; GATY_ECODH; GATY_ECOHS; GATY_ECOK1; GATY_ECOL5; GATY_ECOL6; GATY_ECOLC; GATY_ECOLI; GATY_ECOLU; GATY_ECOLX; GATY_ECOSM; GATY_ECOUT; GATY_KLEOX; GAT ChEBI

Activity (Go SEA)

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