UCSF

ZINC05369596

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 11 Yes

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) 2.68 2.15 -26.95 1 1 1 4 156.293 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5166340 IBM Patent Data

Activity (Go SEA)

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