UCSF

ZINC00601253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 35 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) 3.50 11.44 -21.08 1 8 0 116 488.577 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0489779A1; EP0489779B1; EP0496520A1; EP0605497A1; EP0605497B2; EP0737066A1; EP0809501A1; EP0831912A1; EP0904112A1; EP0914431A2; EP0929565A2; EP0946146A2; EP1021204A2; EP1023055A1; EP1054998A1; US4939135; US4945089; US5124392; US5183815; US5271939; US535 IBM Patent Data

Activity (Go SEA)

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