UCSF

ZINC53358998

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 23 Yes

Popular Name: 2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide 2-(4-hydroxy-6-propyl-pyrimidin-…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.58 6.06 -18.17 1 7 0 84 335.433 7 ↓
Mid Mid (pH 6-8) 2.03 4.13 -52.95 0 7 -1 87 334.425 7 ↓
Mid Mid (pH 6-8) 1.58 5.46 -22.59 1 7 0 84 335.433 7 ↓

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

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