UCSF

ZINC00331080

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 4,6-DIMETHYLNICOTINONITRILE 4,6-DIMETHYLNICOTINONITRILE

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CAS Numbers: 6623-21-8 , [6623-21-8]

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) 1.27 4.25 -5.68 0 2 0 37 132.166 0 ↓
Lo Low (pH 4.5-6) 1.27 4.51 -36.83 1 2 1 38 133.174 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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