UCSF

ZINC67458598

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 Yes

Popular Name: 6-[[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-pyrimidine-2,4-dione 6-[[4-(1-tert-butylpyrazol-4-yl)…

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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) 0.92 3.62 -14.55 2 7 0 87 329.404 4 ↓
Mid Mid (pH 6-8) 1.37 4.84 -47.41 2 7 0 91 329.404 4 ↓
Mid Mid (pH 6-8) 0.92 5.89 -63.76 3 7 1 88 330.412 4 ↓

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

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