UCSF

ZINC02940388

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 25 No

Popular Name: N'-[(E)-(5-chloro-2-hydroxy-benzylidene)amino]-N-(m-tolyl)succinamide N'-[(E)-(5-chloro-2-hydroxy-benz…

Find On: PubMed — Wikipedia — Google

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) 3.75 5.4 -13.97 3 6 0 91 359.813 6 ↓
Hi High (pH 8-9.5) 3.75 6.17 -52.67 2 6 -1 94 358.805 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9N6S8-2-E Falcipain 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 7500 0.29 Binding ≤ 10μM
Q9NBA7-2-E Cysteine Protease Falcipain-3 (cluster #2 Of 2), Eukaryotic Eukaryotes 5400 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9NBA7_PLAFA Q9NBA7 Cysteine Protease Falcipain-3, Plafa 5400 0.29 Binding ≤ 10μM
Q9N6S8_PLAFA Q9N6S8 Falcipain 2, Plafa 7500 0.29 Binding ≤ 10μM

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

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