UCSF

ZINC98074341

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2014 14 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) 3.00 8.78 -30.38 0 0 1 0 211.309 3
Mid Mid (pH 6-8) 3.00 8.29 -2.6 0 0 0 0 210.301 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 91-94? Alfa-Aesar
Melting_Point 91-94° Alfa-Aesar
Purity 98% Fluorochem

Activity (Go SEA)

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

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