UCSF

ZINC13516872

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 11 Yes

Popular Name: 1,2,3,5-Tetrahydrobenzo[e][1,4]oxazepine 1,2,3,5-Tetrahydrobenzo[e][1,4]o…

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CAS Numbers: 3693-06-9 , 4029-37-2

Download: MOL2 SDF SMILES Flexibase

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) 1.56 2.9 -3.82 1 2 0 21 149.193 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0450097A1; EP0450097B1; US5559230; US5753677; US5985869; WO1991005549A1; WO1994001113A1 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.