UCSF

ZINC56834496

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 33 No

Popular Name: [[(2S,3R,4R,5S)-5-(2-amino-6-hydroxy-7-methyl-purin-7-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]m [[(2S,3R,4R,5S)-5-(2-amino-6-hyd…

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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) -5.52 1.03 -327.67 5 18 -3 278 550.252 8 ↓
Hi High (pH 8-9.5) -5.41 -0.98 -362.39 4 18 -4 281 549.244 8 ↓
Hi High (pH 8-9.5) -5.41 -0.98 -363.07 4 18 -4 281 549.244 8 ↓
Mid Mid (pH 6-8) -5.52 -0.13 -204.88 6 18 -2 276 551.26 8 ↓
Mid Mid (pH 6-8) -5.52 -0.13 -202.55 6 18 -2 276 551.26 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IF4E-1-E Eukaryotic Translation Initiation Factor 4E (cluster #1 Of 1), Eukaryotic Eukaryotes 560 0.27 Binding ≤ 10μM
IF4E-1-E Eukaryotic Translation Initiation Factor 4E (cluster #1 Of 1), Eukaryotic Eukaryotes 1440 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IF4E_RABIT P29338 Eukaryotic Translation Initiation Factor 4E, Rabit 560 0.27 Binding ≤ 1μM
IF4E_RABIT P29338 Eukaryotic Translation Initiation Factor 4E, Rabit 560 0.27 Binding ≤ 10μM

Rings

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

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