UCSF

ZINC34541430

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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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) 2.77 6.42 -46.02 0 4 -1 66 293.449 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0848286A1; EP0903622A1; EP0903624A1; EP0903625A1; EP0903626A1; EP0903627A1; EP0964299A2; EP1014179A1; US6030765; US6063559; US6093528; US6096486; US6159667 IBM Patent Data

Activity (Go SEA)

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