UCSF

ZINC42128010

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 22 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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) 0.81 4.51 -16.11 2 6 0 88 298.346 5 ↓
Hi High (pH 8-9.5) 1.27 2.65 -55.39 1 6 -1 91 297.338 5 ↓
Lo Low (pH 4.5-6) 0.81 4.97 -51.78 3 6 1 89 299.354 5 ↓

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

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