UCSF

ZINC16697272

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 15 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) 1.54 5.65 -38.45 1 5 0 79 269.054 1
Mid Mid (pH 6-8) 2.84 5.23 -38.14 0 5 -1 82 268.046 1

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Purity 96% Fluorochem
MP >200° Oakwood Chemical
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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