UCSF

ZINC42089760

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 16 Yes

Popular Name: 1-methyl-4-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-one 1-methyl-4-[(1-methylimidazol-2-…

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Download: MOL2 SDF SMILES Flexibase

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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) 0.85 6.77 -15.98 0 4 0 40 235.312 3 ↓
Mid Mid (pH 6-8) 0.85 7.26 -40.02 1 4 1 41 236.32 3 ↓

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

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