UCSF

ZINC05934590

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 14 Yes

CAS Numbers: 24973-50-0 , [24973-50-0]

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) 3.46 3.12 -6.13 0 1 0 23 179.222 1

Vendor Notes

Note Type Comments Provided By
MP 44-46° Matrix Scientific
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4540687 IBM Patent Data

Activity (Go SEA)

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