UCSF

ZINC56701993

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 25 Yes

Popular Name: N-[(1R)-1,3-dimethylbutyl]-N-methyl-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-[(1R)-1,3-dimethylbutyl]-N-met…

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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) 2.17 7.99 -16.09 1 6 0 79 342.443 6 ↓
Hi High (pH 8-9.5) 2.62 6.13 -58.07 0 6 -1 82 341.435 6 ↓
Lo Low (pH 4.5-6) 2.17 8.44 -50.88 2 6 1 80 343.451 6 ↓

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

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