UCSF

ZINC66322676

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 20 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) 7.55 13.39 -2.98 0 0 0 0 482.102 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0599886A1; US5670564; US5824744; US5827927; US5973075 IBM Patent Data

Activity (Go SEA)

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

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