UCSF

ZINC63240781

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 24 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]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) 0.95 3.42 -17.87 3 7 0 110 379.751 5 ↓
Hi High (pH 8-9.5) 0.95 3.48 -33.95 2 7 -1 107 378.743 5 ↓
Lo Low (pH 4.5-6) 0.95 3.84 -48.92 4 7 1 111 380.759 5 ↓

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

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