UCSF

ZINC58341263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 32 Yes

Popular Name: N-(2,6-dimethylphenyl)-2-[4-[[6-(isopropylamino)purin-9-yl]methyl]piperazin-1-yl]acetamide N-(2,6-dimethylphenyl)-2-[4-[[6-…

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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) 2.29 9.09 -14.35 2 9 0 91 436.564 7 ↓
Lo Low (pH 4.5-6) 2.29 11.31 -49.77 3 9 1 92 437.572 7 ↓
Lo Low (pH 4.5-6) 2.29 11.41 -46.45 3 9 1 92 437.572 7 ↓

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

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