UCSF

ZINC33828145

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 34 Yes

Popular Name: 1-(2'-Benzoyleth-1'-yl)-2-(4''-pyrrolidinocarbonylmethylpiperazine-1''-ylmethyl)benzimidazole; LS-138062; Pyrrolidine, 1-((4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-1-piperazinyl)acetyl)- 1-(2'-Benzoyleth-1'-yl)-2-(4''-p…

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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) 2.47 9.85 -15.8 0 7 0 62 459.594 8 ↓
Mid Mid (pH 6-8) 2.47 10.62 -36.39 1 7 1 63 460.602 8 ↓
Lo Low (pH 4.5-6) 2.47 12.81 -99.49 2 7 2 64 461.61 8 ↓

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