UCSF

ZINC71791308

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 15 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) 0.32 4.44 -61.12 3 5 0 94 217.265 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4198398; US4304715; USRE30731 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.