UCSF

ZINC16697431

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 10 No

Popular Name: 6-Chloromethyl-2-cyanopyridine 6-Chloromethyl-2-cyanopyridine

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CAS Numbers: 135450-23-6 , [135450-23-6]

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) 1.17 4.22 -8.85 0 2 0 37 152.584 1 ↓
Lo Low (pH 4.5-6) 1.17 4.49 -37.34 1 2 1 38 153.592 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.