UCSF

ZINC34373320

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 36 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
Mid Mid (pH 6-8) 4.46 12.13 -48.06 3 7 1 73 494.704 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0420953A1; US5219862 IBM Patent Data

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