UCSF

ZINC59416814

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 27 No

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Annotations

Vendors

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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) 8.75 17 -6.64 0 2 0 26 400.609 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0144013A2; US4639328 IBM Patent Data

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

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