UCSF

ZINC16957594

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 36 No

Other Names:

NSC-640556

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) 6.78 16.66 -18.68 0 7 0 94 492.56 7

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 6000 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NQO2_HUMAN P16083 Quinone Reductase 2, Human 6000 0.20 Binding ≤ 10μM

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