UCSF

ZINC05064889

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 14 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) 2.42 6.14 -43.69 0 5 -1 78 194.166 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4248873 IBM Patent Data

Activity (Go SEA)

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