UCSF

ZINC04175645

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 43 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.01 -9.5 -24.95 9 15 0 245 612.581 10
Hi High (pH 8-9.5) -0.01 -8.78 -53.7 8 15 -1 248 611.573 10

Vendor Notes

Note Type Comments Provided By
Therapy sweetener SMDC MicroSource

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.