UCSF

ZINC49538626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 43 No

CAS Number: 13241-33-3

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Annotations

None

Vendors

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) -0.38 -9.56 -21.73 8 15 0 234 610.565 7
Hi High (pH 8-9.5) -0.38 -8.57 -69.83 7 15 -1 237 609.557 7

Vendor Notes

Note Type Comments Provided By
biological_use Anti-allergic IBScreen Bioactives
biological_use Antioxidant IBScreen Bioactives
biological_use Depressant IBScreen Bioactives IBScreen Bioactives
biological_use Flavouring agent IBScreen Bioactives
mechanism Free radical scavenger IBScreen Bioactives

Activity (Go SEA)

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