UCSF

ZINC30430198

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2009 17 Yes

Popular Name: N-[2-(1-naphthyl)ethyl]methanesulfonamide N-[2-(1-naphthyl)ethyl]methanesu…

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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) 2.44 4.27 -13.58 1 3 0 46 249.335 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NQO2-2-E Quinone Reductase 2 (cluster #2 Of 4), Eukaryotic Eukaryotes 28 0.62 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NQO2_HUMAN P16083 Quinone Reductase 2, Human 28.1838293 0.62 Binding ≤ 1μM
NQO2_HUMAN P16083 Quinone Reductase 2, Human 28.1838293 0.62 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.