UCSF

ZINC05420335

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 9 Yes

Popular Name: 3-methylisonicotinonitrile 3-methylisonicotinonitrile

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CAS Numbers: 7584-05-6 , 7584-5-6 , [7584-05-6]

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) 0.83 3.63 -5.3 0 2 0 37 118.139 0 ↓
Lo Low (pH 4.5-6) 0.83 3.91 -41.42 1 2 1 38 119.147 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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