UCSF

ZINC63730856

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 21 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-(2,5-difluorophenyl)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) 0.60 2.37 -17.51 3 6 0 97 312.301 4 ↓
Hi High (pH 8-9.5) 0.60 2.43 -34.22 2 6 -1 94 311.293 4 ↓
Lo Low (pH 4.5-6) 0.60 2.8 -47.95 4 6 1 99 313.309 4 ↓

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

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