UCSF

ZINC38580921

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 No

Popular Name: (1S,3S,6R,8R,9R)-8-[6-amino-8-(2-aminoethylamino)purin-9-yl]-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5} (1S,3S,6R,8R,9R)-8-[6-amino-8-(2…

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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) -0.94 0.8 -77.32 8 12 1 177 404.369 4 ↓
Hi High (pH 8-9.5) -0.94 0.43 -26.35 7 12 0 176 403.361 4 ↓
Lo Low (pH 4.5-6) -0.94 1.27 -114.04 9 12 2 179 405.377 4 ↓

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Rings

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