UCSF

ZINC18151939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 11 Yes

Other Names:

MFCD00222293

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) 1.00 1.07 -6.81 2 4 0 62 169.571 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999036406A1 IBM Patent Data

Activity (Go SEA)

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

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