UCSF

ZINC39339960

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 0.90 10.61 -46.47 0 6 -1 90 415.516 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4356183 IBM Patent Data

Activity (Go SEA)

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