UCSF

ZINC04450192

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 16 Yes

Popular Name: 4-(2-Azepan-1-yl-ethyl)-phenylamine 4-(2-Azepan-1-yl-ethyl)-phenylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1185299-89-1 , 863249-80-3 , 863377-36-0

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) 2.64 -0.74 -35.1 3 2 1 30 219.352 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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