UCSF

ZINC16677913

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 11 Yes

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) 1.66 2.48 -6.7 1 3 0 38 148.165 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
MP 97-99° Matrix Scientific
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0630367A1; EP0630367B1; US3988492; US5444038; US5928998 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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