UCSF

ZINC03830878

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) -2.78 -9.83 -7.11 5 6 0 110 180.156 1

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.121 Bitter DB
Mp [°C] 129 - 133 Acros Organics
UniProt Database Links AGAI_ECOLI; ARAA_GEOSE; DHSO_RHOSH; DT3E_PSECI; 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; GAT ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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