UCSF

ZINC19735121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 14 Yes

Popular Name: 1-BENZYL-1,4-DIAZEPANE 1-BENZYL-1,4-DIAZEPANE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 02/12/10 , 199672-26-9 , 4410-12-2 , [4410-12-2]

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) 1.31 5.2 -30.8 2 2 1 16 191.298 2 ↓
Mid Mid (pH 6-8) 1.31 4.37 -36.86 2 2 1 20 191.298 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 138°/5 Torr Matrix Scientific
MP 203 - 205 Enamine Building Blocks
MP 203...205 Enamine Building Blocks
MP 54-56° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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