UCSF

ZINC60018889

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 17 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) 3.79 10.21 -47.65 0 2 -1 40 235.347 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3997586; US4101574; US4206140 IBM Patent Data

Activity (Go SEA)

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

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