UCSF

ZINC04617911

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 28 No

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Annotations

Vendors

    None

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) 2.71 6.93 -41.25 5 6 1 99 374.399 5
Mid Mid (pH 6-8) 2.71 6.84 -41.7 5 6 1 99 374.399 5
Lo Low (pH 4.5-6) 2.58 7.29 -40.34 5 6 1 101 374.399 4
Lo Low (pH 4.5-6) 2.71 7.37 -93.09 6 6 2 101 375.407 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0889887A1; EP0906099A1; EP0934270A1; US5656644; WO1995003297A1; WO1997035855A1; WO1997036587A1; WO1997045412A1 IBM Patent Data

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