UCSF

ZINC30730321

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) -4.59 -3.6 -88.67 1 9 0 159 253.079 4
Mid Mid (pH 6-8) -4.59 -3.81 -60.33 2 9 0 156 254.087 4
Mid Mid (pH 6-8) -2.07 -6.12 -97.86 3 9 -2 159 254.087 4
Mid Mid (pH 6-8) -2.07 -5.52 -95.27 3 9 -2 159 254.087 4
Mid Mid (pH 6-8) -4.59 -4.76 -62.96 2 9 0 156 254.087 4

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ULAG_ECO24; ULAG_ECO27; ULAG_ECO45; ULAG_ECO55; ULAG_ECO57; ULAG_ECO5E; ULAG_ECO7I; ULAG_ECO81; ULAG_ECO8A; ULAG_ECOBW; ULAG_ECODH; ULAG_ECOHS; ULAG_ECOL5; ULAG_ECOL6; ULAG_ECOLC; ULAG_ECOLI; ULAG_ECOLU; ULAG_ECOSE; ULAG_ECOSM; ULAG_ESCF3; ULAG_SALA4; ULA ChEBI

Activity (Go SEA)

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