UCSF

ZINC55149267

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 Yes

Popular Name: (2-hydroxy-5-methyl-phenyl)-[1-(7H-purin-6-yl)pyrazol-4-yl]methanone (2-hydroxy-5-methyl-phenyl)-[1-(…

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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) 1.84 6.95 -16.72 2 8 0 110 320.312 3 ↓
Hi High (pH 8-9.5) 1.84 6.45 -43.11 1 8 -1 108 319.304 3 ↓

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

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