UCSF

ZINC63245153

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 23 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-[4-[(1R)-1-methylpropyl]phenyl]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) 2.20 4.76 -17.73 3 6 0 97 332.429 6 ↓
Hi High (pH 8-9.5) 2.20 4.81 -34.68 2 6 -1 94 331.421 6 ↓
Lo Low (pH 4.5-6) 2.20 5.18 -47.68 4 6 1 99 333.437 6 ↓

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

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