UCSF

ZINC05131989

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 12 Yes

CAS Numbers: 25878-23-3 , 50-70-4 , [25878-23-3]

Download: MOL2 SDF SMILES Flexibase

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) -3.10 -11.3 -10.89 6 6 0 121 182.172 5

Vendor Notes

Note Type Comments Provided By
BP 230 TCI
MP 76 TCI
Therapy sweetening agent and humectant SMDC Pharmakon

Activity (Go SEA)

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