UCSF

ZINC14491610

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 8 Yes

Popular Name: 4-Hydroxy-2-methylpyridine 4-Hydroxy-2-methylpyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18615-86-6 , 99968-73-7 , [18615-86-6]

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) 0.41 2.75 -18.21 1 2 0 33 109.128 0 ↓
Mid Mid (pH 6-8) 0.50 2.54 -7.15 0 2 0 29 109.128 0 ↓
Lo Low (pH 4.5-6) 0.61 0.77 -30.3 2 2 1 34 110.136 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 174-176° Oakwood Chemical
BP 190°/0.003m Oakwood Chemical
BP 350-360° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP1006108A1; US5399566 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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