UCSF

ZINC40663025

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 29 No

Popular Name: O-[(1S,4S)-4-[[(3aR,4S,6S,6aR)-6-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1, O-[(1S,4S)-4-[[(3aR,4S,6S,6aR)-6…

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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) 1.23 4.63 -10.88 4 10 0 133 420.495 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50420-2-O Trypanosoma Brucei Brucei (cluster #2 Of 7), Other Other 3000 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50420 Z50420 Trypanosoma Brucei Brucei 3000 0.27 Functional ≤ 10μM

Rings

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