UCSF

ZINC42137259

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 Yes

Popular Name: 2-[(4,5-dimethyloxazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carboxylic 2-[(4,5-dimethyloxazol-2-yl)meth…

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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) 2.54 5.69 -59.7 0 5 -1 79 291.352 4 ↓
Lo Low (pH 4.5-6) 2.54 6.05 -51.91 1 5 0 80 292.36 4 ↓

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

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