UCSF

ZINC08454710

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2006 40 No

Popular Name: N-[3-(N-{[2-(3-butoxyphenyl)-4-quinolinyl]carbonyl}ethanehydrazonoyl)phenyl]-2,2-dimethylpropanamide N-[3-(N-{[2-(3-butoxyphenyl)-4-q…

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Other Names:

MFCD02374937

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) 7.47 0.47 -28.48 2 2 0 92 536.676 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLM2_PLAFA P46925 Plasmepsin 2, Plafa 8000 0.18 Binding ≤ 10μM

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

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