UCSF

ZINC16957625

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 34 No

Other Names:

NSC-640583

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) 7.27 16.66 -14.58 0 4 0 48 461.59 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NQO2-3-E Quinone Reductase 2 (cluster #3 Of 4), Eukaryotic Eukaryotes 3200 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NQO2_HUMAN P16083 Quinone Reductase 2, Human 3200 0.23 Binding ≤ 10μM

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