UCSF

ZINC05764970

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 29 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) 5.30 0.52 -10.13 2 5 0 83 420.933 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3962455; WO1994004520A1; WO1999064560A1; WO2000053563A1 IBM Patent Data

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