UCSF

ZINC38935632

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2010 14 Yes

Popular Name: 1-Piperidin-2-ylmethyl-azepane 1-Piperidin-2-ylmethyl-azepane

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1219960-55-0 , 881040-50-2 , N/A

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) 2.44 7.2 -109.23 3 2 2 21 198.354 2 ↓
Mid Mid (pH 6-8) 2.44 6.07 -29.48 2 2 1 16 197.346 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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