UCSF

ZINC04521106

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 10 Yes

Popular Name: 1-(1,4-Diazepan-1-yl)ethanone 1-(1,4-Diazepan-1-yl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1201633-56-8 , 1389313-58-9 , 61903-11-5 , [1201633-56-8] , [61903-11-5]

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) -0.73 2.44 -49 2 3 1 37 143.21 0 ↓

Vendor Notes

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

Activity (Go SEA)

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