UCSF

ZINC63258823

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 24 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)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) 1.05 4.43 -18.73 3 9 0 143 349.372 5 ↓
Hi High (pH 8-9.5) 1.05 4.48 -35.65 2 9 -1 140 348.364 5 ↓
Lo Low (pH 4.5-6) 1.05 4.85 -49.66 4 9 1 144 350.38 5 ↓

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

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