UCSF

ZINC52426195

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 11 Yes

Popular Name: 5-Hydroxy-6-methylnicotinic acid 5-Hydroxy-6-methylnicotinic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7428-22-0 , [7428-22-0]

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) 0.42 2.3 -57.43 1 4 -1 77 152.129 1 ↓
Hi High (pH 8-9.5) 0.42 1.89 -103.31 0 4 -2 76 151.121 1 ↓
Lo Low (pH 4.5-6) 0.42 1.54 -41.33 2 4 0 74 153.137 1 ↓

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

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