UCSF

ZINC64540921

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 33 No

Popular Name: [[(2R,3R,4S,5R)-5-(6-amino-2-methylsulfanyl-7,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-y [[(2R,3R,4S,5R)-5-(6-amino-2-met…

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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) -2.67 -3.66 -386.52 5 18 -4 288 551.26 9 ↓
Mid Mid (pH 6-8) -2.67 -3.31 -349.44 6 18 -3 289 552.268 9 ↓
Mid Mid (pH 6-8) -2.67 -4.82 -248.89 6 18 -3 285 552.268 9 ↓
Lo Low (pH 4.5-6) -2.67 -4.47 -222.21 7 18 -2 286 553.276 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 10000 0.21 Functional ≤ 10μM

Rings

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

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