UCSF

ZINC05138266

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 23 No

Popular Name: 5'-S-isobutyl-5'-deoxyadenosine; 5'-S-isobutylthioadenosine; 5'-deoxy-5'-S-isobutyladenosine; 5'-deoxy-5'-S-isobutylthioadenosine; Adenosine, 5'-S-(2-methylpropyl)-5'-thio-; C14H21N5O3S; LS-174568; SIBA 5'-S-isobutyl-5'-deoxyadenosine;…

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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) 1.43 2.43 -13.72 4 8 0 119 339.421 5 ↓
Lo Low (pH 4.5-6) 1.43 -1.73 -32.21 5 8 1 121 340.429 5 ↓
Lo Low (pH 4.5-6) 1.43 2.68 -33.7 5 8 1 121 340.429 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0526866A1 IBM Patent Data

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