UCSF

ZINC63941109

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 25 No

Popular Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]acetamide N-(6-acetyl-1,3-benzodioxol-5-yl…

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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) 0.06 1.81 -21.67 3 9 0 132 362.367 5 ↓
Hi High (pH 8-9.5) 0.06 1.92 -39.98 2 9 -1 130 361.359 5 ↓
Lo Low (pH 4.5-6) 0.06 2.28 -50.16 4 9 1 134 363.375 5 ↓

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

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