UCSF

ZINC63240972

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 21 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-(4-cyanophenyl)acetamide 2-[(4-amino-6-oxo-5H-pyrimidin-2…

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Vendors

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) 0.09 2.58 -20.32 3 7 0 121 301.331 4 ↓
Hi High (pH 8-9.5) 0.09 2.64 -35.76 2 7 -1 118 300.323 4 ↓
Lo Low (pH 4.5-6) 0.09 3 -52.69 4 7 1 122 302.339 4 ↓

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

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