UCSF

ZINC04727958

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 17 Yes

Other Names:

MFCD00764461

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) -0.26 2.9 -39.89 3 4 0 77 249.188 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0770132A1 IBM Patent Data

Activity (Go SEA)

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