UCSF

ZINC32445498

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 12 Yes

Popular Name: N-(2-Azepan-1-ylethyl)-N-ethylamine N-(2-Azepan-1-ylethyl)-N-ethylamine

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CAS Numbers: 55543-73-2 , [55543-73-2]

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) 1.57 5.98 -109.68 3 2 2 21 172.316 4 ↓
Mid Mid (pH 6-8) 1.57 4.62 -31.31 2 2 1 16 171.308 4 ↓
Mid Mid (pH 6-8) 1.57 4.14 -35.66 2 2 1 20 171.308 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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