UCSF

ZINC35570290

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 9 Yes

Popular Name: (5-methylpyridin-2-yl)methanol (5-methylpyridin-2-yl)methanol

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CAS Numbers: 22940-71-2 , [22940-71-2]

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) 0.56 0.83 -5.38 1 2 0 33 123.155 1 ↓
Lo Low (pH 4.5-6) 0.56 1.25 -28.99 2 2 1 34 124.163 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 80-82°/0.5mm Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
melting_point Bp: 80 - 82 @ 0.5mmHg KeyOrganics
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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