UCSF

ZINC49089207

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 26 No

Popular Name: [(2S,3R,4S,5R)-5-[2-(dihydroxymethyl)-6-hydroxy-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methy [(2S,3R,4S,5R)-5-[2-(dihydroxyme…

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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) -3.70 -7.62 -153.16 5 14 -2 226 392.217 5 ↓
Mid Mid (pH 6-8) -3.70 -8.76 -61.24 6 14 -1 223 393.225 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IMDH2-1-E Inosine-5'-monophosphate Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 440 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IMDH2_HUMAN P12268 Inosine-5'-monophosphate Dehydrogenase 2, Human 440 0.34 Binding ≤ 1μM
IMDH2_HUMAN P12268 Inosine-5'-monophosphate Dehydrogenase 2, Human 440 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine ribonucleoside monophosphate biosynthesis

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