UCSF

ZINC12955393

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 14 Yes

Popular Name: 1-(4-fluorophenyl)-1,4-diazepane 1-(4-fluorophenyl)-1,4-diazepane

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CAS Numbers: 263409-96-7 , 751468-47-0 , [263409-96-7]

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) 1.77 4.56 -41.18 2 2 1 20 195.261 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 219-223? Alfa-Aesar
Melting_Point 219-223° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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