UCSF

ZINC55568860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 28 Yes

Popular Name: N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-2-[4-(9H-purin-6-yl)pyrazol-1-yl]acetamide N-(5-tert-butyl-2-methyl-pyrazol…

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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) 1.19 8.08 -28.69 2 10 0 119 379.428 5 ↓
Hi High (pH 8-9.5) 1.19 7.6 -55.16 1 10 -1 118 378.42 5 ↓

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

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