UCSF

ZINC53517371

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 37 Yes

Popular Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperazin-1-yl)-3-methyl-purine-2,6-dione 7-[2-(1H-benzimidazol-2-ylsulfan…

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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) 2.80 11.54 -13.71 2 10 0 108 516.631 7 ↓
Lo Low (pH 4.5-6) 2.80 14.18 -97 4 10 2 110 518.647 7 ↓

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