UCSF

ZINC69949298

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 Yes

Popular Name: 2-methyl-N-(2-pyridyl)-1H-imidazole-5-sulfonamide 2-methyl-N-(2-pyridyl)-1H-imidaz…

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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) 0.34 1.94 -36.85 3 6 1 92 239.28 2 ↓
Hi High (pH 8-9.5) 0.17 0.99 -56.52 1 6 -1 90 237.264 3 ↓
Mid Mid (pH 6-8) 0.17 1.47 -43.48 2 6 0 91 238.272 3 ↓

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Rings

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

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