UCSF

ZINC60120045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 43 No

Popular Name: 4-[(2-tert-butoxy-2-oxo-ethyl)amino]-2-[5-(dimethylBLAHyl)-2,4-dioxo-pyrimidin-1-yl]pyrimidine-5-car 4-[(2-tert-butoxy-2-oxo-ethyl)am…

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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) 3.35 17.14 -47.19 2 11 -1 159 580.621 8 ↓
Hi High (pH 8-9.5) 3.81 14.69 -104.67 1 11 -2 162 579.613 8 ↓
Lo Low (pH 4.5-6) 0.60 17.55 -37.93 3 11 0 163 581.629 7 ↓

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

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