UCSF

ZINC02149429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 16 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) -0.33 4.11 -41.43 3 3 0 68 233.189 4
Hi High (pH 8-9.5) 1.79 10.44 -21.33 1 10 0 105 432.488 4

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0770132A1 IBM Patent Data
Warnings IRRITANT-HARMFUL Matrix Scientific

Activity (Go SEA)

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