UCSF

ZINC19266142

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 15 Yes

Popular Name: 1-(3-Chlorobenzyl)-1,4-diazepane 1-(3-Chlorobenzyl)-1,4-diazepane

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CAS Numbers: 1353978-99-0 , 686260-62-8 , [686260-62-8]

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) 1.96 5.71 -33.94 2 2 1 16 225.743 2 ↓
Lo Low (pH 4.5-6) 1.96 4.58 -38.59 2 2 1 20 225.743 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

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