UCSF

ZINC45348318

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 18 Yes

Popular Name: N-[[(1R,2S,3S,5S,7R,8S)-1,2,7-trihydroxy-5-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl] N-[[(1R,2S,3S,5S,7R,8S)-1,2,7-tr…

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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) -3.12 -4.76 -36.2 6 7 1 114 261.298 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENASE-1-E Endo-beta-N-acetylglucosaminidase (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.68 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ENASE_HUMAN Q8NFI3 Endo-beta-N-acetylglucosaminidase, Human 1.25 0.69 Binding ≤ 1μM
ENASE_HUMAN Q8NFI3 Endo-beta-N-acetylglucosaminidase, Human 1.25 0.69 Binding ≤ 10μM

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