UCSF

ZINC42094185

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 17 No

Popular Name: 1-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyrimidine-2-thione 1-[[methyl-[(1-methylpyrazol-4-y…

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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) -0.46 6.74 -62.82 1 5 1 40 250.351 4 ↓
Mid Mid (pH 6-8) -0.46 4.41 -28.36 0 5 0 39 249.343 4 ↓

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

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