UCSF

ZINC36968718

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 Yes

Popular Name: (2S)-3-(1H-imidazol-4-yl)-2-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonylamino]propanoic (2S)-3-(1H-imidazol-4-yl)-2-[(4-…

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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) -2.30 0.06 -48.47 3 9 -1 148 331.355 6 ↓
Mid Mid (pH 6-8) -2.30 0.58 -56.89 4 9 0 149 332.363 6 ↓
Mid Mid (pH 6-8) -1.84 -2.24 -118.88 2 9 -2 151 330.347 6 ↓

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Rings

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

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