UCSF

ZINC23004520

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 36 No

Popular Name: [(1S)-1-methyl-2-oxo-2-(9H-purin-6-ylamino)ethyl] [(1S)-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) 2.74 13.53 -37.48 2 11 0 148 485.504 8 ↓
Hi High (pH 8-9.5) 2.74 12.99 -52.5 1 11 -1 146 484.496 8 ↓

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

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