UCSF

ZINC34560838

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 4.71 10.78 -48.58 3 7 1 83 486.539 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0998285A1; US6037354; WO1998057641A1 IBM Patent Data
PUBCHEM_PATENT_ID US6037354 IBM Patent Data

Activity (Go SEA)

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

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