UCSF

ZINC27645791

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 30 Yes

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) 4.21 9.23 -11.37 0 6 0 63 408.45 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NU4M-1-E NADH-ubiquinone Oxidoreductase Chain 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NU4M_HUMAN P03905 NADH-ubiquinone Oxidoreductase Chain 4, Human 17 0.36 Binding ≤ 1μM
NU4M_HUMAN P03905 NADH-ubiquinone Oxidoreductase Chain 4, Human 17 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Respiratory electron transport

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