UCSF

ZINC36124179

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: (2R,3S,4R,5S)-5-(hydroxymethyl)-3-methyl-2-[6-[[(1S)-1-methyl-2-phenyl-ethyl]amino]purin-9-yl]tetrah (2R,3S,4R,5S)-5-(hydroxymethyl)-…

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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) 1.14 2.35 -14.83 4 9 0 126 399.451 6 ↓
Lo Low (pH 4.5-6) 1.14 2.71 -35.58 5 9 1 127 400.459 6 ↓

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Rings

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

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