UCSF

ZINC65566302

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 31 Yes

Popular Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl-(2-cyclohexylethyl)amino]acetamide 2-[(3-butyl-7-ethyl-2,6-dioxo-pu…

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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) 2.25 8.69 -55.45 4 9 1 120 433.577 11 ↓
Hi High (pH 8-9.5) 2.25 6.7 -13.78 3 9 0 119 432.569 11 ↓

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

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