UCSF

ZINC63941099

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 21 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-fluoro-phenyl)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) 1.11 2.76 -17.51 3 6 0 97 328.756 4 ↓
Hi High (pH 8-9.5) 1.11 2.81 -32.64 2 6 -1 94 327.748 4 ↓
Lo Low (pH 4.5-6) 1.11 3.18 -50.05 4 6 1 99 329.764 4 ↓

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

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