UCSF

ZINC13673356

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 35 Yes

Popular Name: 1-[(2R,4S,5R)-4-fluoro-5-[(tritylamino)methyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione 1-[(2R,4S,5R)-4-fluoro-5-[(trity…

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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) 4.06 9.9 -13.18 2 6 0 76 471.532 7 ↓

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 5300 0.21 Functional ≤ 10μM
Z50725-3-O Trypanosoma Brucei Rhodesiense (cluster #3 Of 7), Other Other 3600 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 5300 0.21 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 3600 0.22 Functional ≤ 10μM

Rings

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

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