UCSF

ZINC71789618

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 23 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) 0.48 -0.05 -47.05 4 8 -1 135 387.162 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997036001A1 IBM Patent Data

Activity (Go SEA)

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

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