UCSF

ZINC03943593

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 41 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) 6.07 2.45 -49.84 1 11 -1 143 577.687 13
Mid Mid (pH 6-8) 6.07 2.62 -59.84 2 11 0 144 578.695 13

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5616599; US5646171 IBM Patent Data

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