UCSF

ZINC85484746

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2013 31 No

Popular Name: Sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate Sodium ((2R,3S,4R,5R)-5-(6-amino…

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CAS Number: 987-65-5

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Annotations

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Vendors

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) -3.54 -3.58 -366.88 4 18 -4 290 503.15 8 ↓
Lo Low (pH 4.5-6) -3.54 -5.93 -118.63 6 18 -2 285 505.166 8 ↓
Lo Low (pH 4.5-6) -3.54 -4.53 -248.58 5 18 -3 288 504.158 8 ↓

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

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