UCSF

ZINC28221394

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 20 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) 0.99 6.55 -16.39 1 7 0 81 268.28 2
Lo Low (pH 4.5-6) 0.99 6.93 -52.96 2 7 1 82 269.288 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4366156; US4489078 IBM Patent Data

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

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