UCSF

ZINC13429802

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 12 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) 2.40 6.77 -45.55 0 2 -1 40 167.228 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4727199; US4873017; US5025094; US5136106 IBM Patent Data

Activity (Go SEA)

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

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