UCSF

ZINC08054836

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 18 No

Popular Name: 2-Azepan-1-yl-5-nitrobenzonitrile 2-Azepan-1-yl-5-nitrobenzonitrile

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CAS Numbers: , 78243-61-5

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) 3.10 1.45 -7.32 0 5 0 72 245.282 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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