UCSF

ZINC65502550

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 29 Yes

Popular Name: N-(2-isobutoxyphenyl)-2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]acetamide N-(2-isobutoxyphenyl)-2-[4-methy…

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Vendors

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) 2.77 7.67 -16.13 2 7 0 97 392.459 7 ↓
Hi High (pH 8-9.5) 3.22 5.82 -56.74 1 7 -1 100 391.451 7 ↓
Lo Low (pH 4.5-6) 2.77 8.13 -51.6 3 7 1 98 393.467 7 ↓

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

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