UCSF

ZINC06248254

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 18 No

Popular Name: 2-(2-Methylpiperidin-1-yl)-5-nitrobenzonitrile 2-(2-Methylpiperidin-1-yl)-5-nit…

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CAS Numbers: , 876549-49-4

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) 2.92 1.86 -8.15 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% )