UCSF

ZINC66148954

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 23 Yes

Popular Name: N-[1-(p-tolylsulfonyl)benzimidazol-2-yl]acetamide N-[1-(p-tolylsulfonyl)benzimidaz…

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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) 2.39 6.14 -21.93 1 6 0 86 329.381 3 ↓
Hi High (pH 8-9.5) 2.57 7.54 -13.46 1 6 0 84 329.381 2 ↓
Hi High (pH 8-9.5) 2.91 6.47 -55.59 0 6 -1 87 328.373 3 ↓
Lo Low (pH 4.5-6) 2.57 6.09 -12.86 2 6 0 87 330.389 2 ↓

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Rings

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

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