UCSF

ZINC49777720

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 20 Yes

Popular Name: (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[(6R)-6-(hydroxymethyl)-3,6-dihydropurin-9-yl]tetrahydrofuran-3,4- (2R,3S,4R,5S)-2-(hydroxymethyl)-…

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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) -1.90 -5.63 -46.91 6 9 1 134 285.28 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CDD-1-E Cytidine Deaminase (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CDD_MOUSE P56389 Cytidine Deaminase, Mouse 10000 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pyrimidine salvage reactions

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