UCSF

ZINC34894467

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 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) 2.80 4.51 -9.9 3 4 0 78 388.548 1

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1616578 ChEBI
PUBCHEM_PATENT_ID US3954739; US4102884; US4182330; US5739118; US5962428; WO2000045165A1; WO2000047215A2 IBM Patent Data

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

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