UCSF

ZINC30714930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 8 No

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) 2.01 4.96 -3.6 0 1 0 24 127.212 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 84?/8mm Alfa-Aesar
BP 84°/8mm Matrix Scientific
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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