UCSF

ZINC39695852

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 39 Yes

Popular Name: (4S)-N-[(1R)-1-[(2S)-5-methyl-2H-benzimidazol-2-yl]ethyl]-2-(5-methyl-3-phenyl-isoxazole-4-carbonyl) (4S)-N-[(1R)-1-[(2S)-5-methyl-2H…

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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) 2.44 9.78 -55.5 4 9 1 121 527.649 5 ↓
Lo Low (pH 4.5-6) 2.44 10.21 -112.67 5 9 2 122 528.657 5 ↓

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