UCSF

ZINC05998802

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 23 Yes

CAS Numbers: 119425-90-0 , [119425-90-0]

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) 3.33 0.37 -11.34 1 5 0 65 316.353 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999000114A2 IBM Patent Data

Activity (Go SEA)

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