UCSF

ZINC20230719

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 Yes

Popular Name: 1-(4-bromo-2-fluorobenzyl)-1,4-diazepane 1-(4-bromo-2-fluorobenzyl)-1,4-d…

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CAS Numbers: 646455-62-1 , [646455-62-1]

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) 2.21 6.1 -32.82 2 2 1 16 288.184 2 ↓
Lo Low (pH 4.5-6) 2.21 5.26 -40.15 2 2 1 20 288.184 2 ↓

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