UCSF

ZINC34475811

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 13 Yes

Popular Name: 7-amino-3,4-dihydro-2H-1-benzoxepin-5-one 7-amino-3,4-dihydro-2H-1-benzoxe…

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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) 0.92 2.71 -8.47 2 3 0 52 177.203 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6159996; WO2000004006A1 IBM Patent Data

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