UCSF

ZINC04312834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 15 Yes

Popular Name: 1-(2-Piperidin-4-ylethyl)azepane 1-(2-Piperidin-4-ylethyl)azepane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1220035-80-2 , 96901-05-2 , N/A , [1220035-80-2] , [96901-05-2]

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) 2.42 -0.88 -88.67 3 2 2 21 212.381 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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