UCSF

ZINC63245248

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 25 No

Popular Name: 2-[(4-amino-6-oxo-5H-pyrimidin-2-yl)sulfanyl]-N-[4-(1-piperidyl)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) 1.35 4.56 -18.56 3 7 0 100 359.455 5 ↓
Hi High (pH 8-9.5) 1.35 4.62 -35.89 2 7 -1 98 358.447 5 ↓
Lo Low (pH 4.5-6) 1.35 5.21 -44.46 4 7 1 101 360.463 5 ↓
Lo Low (pH 4.5-6) 1.35 5.63 -85.41 5 7 2 103 361.471 5 ↓

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

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