UCSF

ZINC63731203

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 20 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide 2-[(4-amino-6-oxo-5H-pyrimidin-2…

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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) 0.79 3.24 -16.32 3 6 0 97 296.396 4 ↓
Hi High (pH 8-9.5) 0.79 3.29 -33.72 2 6 -1 94 295.388 4 ↓
Lo Low (pH 4.5-6) 0.79 3.66 -45.66 4 6 1 99 297.404 4 ↓

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

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