UCSF

ZINC67540095

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 26 Yes

Popular Name: [3-(1H-benzimidazol-2-yl)phenyl]-[(1R,6S)-4,9-diazabicyclo[4.2.1]nonan-4-yl]methanone [3-(1H-benzimidazol-2-yl)phenyl]…

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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) 2.78 8.94 -54.92 3 5 1 66 347.442 2 ↓
Hi High (pH 8-9.5) 2.78 7.74 -16.82 2 5 0 61 346.434 2 ↓
Lo Low (pH 4.5-6) 2.78 9.39 -82.33 4 5 2 67 348.45 2 ↓

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

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