UCSF

ZINC38724893

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 16 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) -0.23 2.62 -10.57 0 5 0 50 226.276 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5783522; WO1993024485A1; WO1997028129A1 IBM Patent Data

Activity (Go SEA)

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