UCSF

ZINC05052153

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 11 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) -0.34 5.33 -11.75 0 4 0 60 158.153 5
Mid Mid (pH 6-8) 0.41 5.27 -39.67 0 4 -1 66 157.145 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0620857A1; EP0620857B1; US5686275 IBM Patent Data

Activity (Go SEA)

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