UCSF

ZINC26186177

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 34 No

Popular Name: (5S)-3-[(13R)-13-hydroxy-13-[(2R,5R)-5-[(2R,5R)-5-(1-hydroxyethyl)tetrahydrofuran-2-yl]tetrahydrofur (5S)-3-[(13R)-13-hydroxy-13-[(2R…

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Download: MOL2 SDF SMILES Flexibase

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) 6.26 11.99 -17.96 2 6 0 85 480.686 16 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NDUAB-1-E NADH-ubiquinone Oxidoreductase Subunit B14.7 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NDUAB_BOVIN Q8HXG6 NADH-ubiquinone Oxidoreductase Subunit B14.7, Bovin 3.1 0.35 Binding ≤ 1μM
NDUAB_BOVIN Q8HXG6 NADH-ubiquinone Oxidoreductase Subunit B14.7, Bovin 3.1 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Respiratory electron transport

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