UCSF

ZINC19803328

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 15 Yes

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

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CAS Numbers: 10389-65-9 , 1353965-50-0 , 40389-65-9 , [40389-65-9]

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) 1.99 5.72 -35.19 2 2 1 16 225.743 2 ↓
Lo Low (pH 4.5-6) 1.99 4.59 -38.57 2 2 1 20 225.743 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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