UCSF

ZINC38518602

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 20 Yes

Popular Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-; methylidenecyclopentyl]-6,9-dihydro-1H-purin-6-one 2-amino-9-[(1S,3R,4S)-4-hydroxy-…

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CAS Number: 209216-23-9

Other Names:

MFCD00907887

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) -0.71 -4.13 -46.31 3 8 -1 122 276.276 2 ↓
Lo Low (pH 4.5-6) -0.71 -3.66 -26.39 4 8 0 124 277.284 2 ↓

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

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