UCSF

ZINC02582660

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 2-(2-Methylphenyl)azepane 2-(2-Methylphenyl)azepane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1049744-76-4 , 133745-39-8 , [133745-39-8]

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) 2.59 0.3 -37.18 2 1 1 17 190.31 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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