UCSF

ZINC69947711

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-(3-methyl-2-pyridyl)-1H-imidazole-4-sulfonamide N-(3-methyl-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) 0.66 2.89 -42.24 3 6 1 92 239.28 2 ↓
Mid Mid (pH 6-8) 0.66 2.37 -22.82 2 6 0 91 238.272 2 ↓
Mid Mid (pH 6-8) 0.48 2.42 -49.5 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.