UCSF

ZINC14244155

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 30 Yes

Popular Name: [(1R)-1-methyl-2-oxo-2-(9H-purin-6-ylamino)ethyl] [(1R)-1-methyl-2-oxo-2-(9H-purin…

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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) 2.35 11.03 -27.28 2 10 0 128 425.836 7 ↓
Hi High (pH 8-9.5) 2.35 10.55 -46.61 1 10 -1 126 424.828 7 ↓
Hi High (pH 8-9.5) 2.54 9.28 -58.62 1 10 -1 134 424.828 7 ↓

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