UCSF

ZINC03943606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 42 No

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Annotations

Vendors

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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) 4.22 2.36 -55.97 1 13 -1 161 577.618 15
Mid Mid (pH 6-8) 4.22 2.5 -64.87 2 13 0 163 578.626 15

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5646171 IBM Patent Data

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